data_2n73_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n73 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 111.49 0.181 . . . . 50.0 111.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 50.0 110.455 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 50.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 50.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 50.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 50.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 50.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 50.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 50.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 50.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 50.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 50.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 50.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 50.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 50.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 50.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 50.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 50.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 50.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 50.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 50.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 50.0 110.605 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 50.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 50.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 50.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 50.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 50.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 50.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 50.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 50.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 50.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 50.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.639 0.256 . . . . 50.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 50.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 50.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 50.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 50.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 50.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 50.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 50.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 50.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 50.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 50.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 50.0 111.093 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 110.216 -0.29 . . . . 50.0 110.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 50.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 50.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 50.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 50.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 50.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 50.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 50.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 50.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 50.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 50.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 50.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 50.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 50.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 50.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 50.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 50.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 50.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 50.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 50.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 50.0 110.738 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 50.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 50.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 50.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 50.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 50.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 50.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 50.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 50.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 50.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 50.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 CA--C 1.521 -0.165 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 50.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 50.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 50.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 50.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 50.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 50.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 50.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 50.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 50.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt . . . . . 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 50.0 110.561 176.378 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 50.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 50.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 50.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 50.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 50.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 50.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 50.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 50.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 50.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 50.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 50.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 50.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 50.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 50.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 50.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 50.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 50.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 50.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 50.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 50.0 109.79 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 50.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 50.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 50.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 50.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 50.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 50.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 50.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 50.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 50.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 50.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 50.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 50.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 50.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 50.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 50.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 50.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 50.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 50.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 50.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 50.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 50.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 50.0 110.404 176.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 50.0 112.751 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 50.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 50.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 50.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 50.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 50.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 50.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 50.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 50.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 50.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 50.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 50.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 -175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 50.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 50.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 50.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 50.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 50.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 50.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 50.0 110.905 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 50.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 50.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 50.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 50.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 50.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 50.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 50.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 50.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 50.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 50.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 50.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 50.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 50.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 110.362 -0.236 . . . . 50.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 50.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 50.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 50.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 50.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 50.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 50.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 50.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 50.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 50.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 50.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 50.0 109.948 175.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 50.0 112.638 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 50.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 50.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 50.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 50.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 50.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 50.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 50.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 50.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 50.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 50.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 50.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 50.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 50.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 50.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 50.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 50.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 50.0 110.999 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 50.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 50.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 50.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 50.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 50.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 50.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 50.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 50.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 50.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 50.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 50.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 50.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 50.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 50.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 50.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 50.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 50.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 50.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 50.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 50.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 50.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 50.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 50.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 50.0 110.261 176.468 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.546 0.202 . . . . 50.0 111.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 50.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 50.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 50.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 50.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 50.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 50.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 50.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 50.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 50.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 50.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 50.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 50.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 50.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 50.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 50.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 50.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 50.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 50.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 50.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 50.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 50.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 50.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 50.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 50.0 110.88 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 50.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 50.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 50.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 50.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 50.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 50.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 50.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 50.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 50.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 50.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 50.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 50.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 108.043 -1.095 . . . . 50.0 108.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 50.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 50.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 50.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 50.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 50.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 50.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 50.0 110.137 175.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.937 0.347 . . . . 50.0 111.937 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 50.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 50.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 50.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 50.0 110.21 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 50.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 50.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 50.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 50.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 50.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 50.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 50.0 110.143 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 50.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 50.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 50.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 50.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 50.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 50.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 50.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 50.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 50.0 110.862 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 50.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 50.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 50.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 50.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 50.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 50.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 50.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 50.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 50.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 50.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.77 0.319 . . . . 50.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 50.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 50.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 50.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 50.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 50.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 50.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 50.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 50.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 50.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 50.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 50.0 110.309 176.76 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.956 0.354 . . . . 50.0 111.956 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 50.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 50.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 50.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 50.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 50.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 50.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 50.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 50.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 50.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 50.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 50.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 50.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 50.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 50.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 50.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 50.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 50.0 109.195 -174.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 50.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 50.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 50.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 50.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 50.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 50.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 50.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 50.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 50.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 50.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 50.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 50.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 50.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 50.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 50.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 50.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 50.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 50.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 50.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 50.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 50.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 50.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 50.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 50.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 50.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 50.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 50.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 50.0 110.492 176.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.68 0.276 . . . . 50.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 50.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 50.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 50.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 50.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 50.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 50.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 50.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 50.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 50.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 50.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 50.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 50.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 50.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 50.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 50.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 50.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 50.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 50.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 50.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 50.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 50.0 109.713 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 50.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 50.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 50.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 50.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 50.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 50.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 50.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 50.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 50.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 50.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 50.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 50.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 50.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 50.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 50.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 50.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 50.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 50.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 50.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 50.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 174.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.058 0.392 . . . . 50.0 112.058 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 50.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 50.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 50.0 108.852 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 50.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 50.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 50.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 50.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 50.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 50.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 50.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 50.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 50.0 110.009 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 50.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 50.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 50.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 50.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 50.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 50.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 50.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 50.0 110.967 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 50.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 50.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 50.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 50.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 50.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 50.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 50.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 50.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 50.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 50.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 50.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 50.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 50.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 50.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 50.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 50.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 50.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 50.0 109.693 175.827 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.057 0.391 . . . . 50.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 50.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 50.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 50.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 50.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 50.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 50.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 50.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 50.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 50.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 50.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 50.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 50.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 50.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 50.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 50.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 50.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 50.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 50.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 50.0 110.548 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 50.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 50.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 50.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 50.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 50.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 50.0 110.019 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 50.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 50.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 50.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 50.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 50.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 50.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 50.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 50.0 109.499 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 50.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 50.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 50.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 50.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 50.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 50.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 50.0 109.922 172.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 50.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 50.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 50.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 50.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 50.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 50.0 109.227 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 50.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 50.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 50.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 50.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 50.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.317 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 50.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 50.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 50.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 50.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 50.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 50.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 50.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 50.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 50.0 109.36 174.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 50.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 50.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 50.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 50.0 112.137 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 50.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 50.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 50.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 50.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 50.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 50.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 50.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 50.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 50.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 50.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 108.74 -0.837 . . . . 50.0 108.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 50.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 50.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 50.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 50.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 50.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 50.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 50.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 50.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 50.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 50.0 110.642 176.319 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 120.805 0.336 . . . . 50.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 50.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 50.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 50.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 50.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 50.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 50.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 50.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 50.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 50.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 50.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 50.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 50.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 50.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 50.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 50.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 50.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 50.0 110.857 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 50.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 50.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 50.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 50.0 110.833 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 50.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 50.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 50.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 50.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 50.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 50.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 50.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 50.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 50.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 50.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 50.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 50.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 50.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 50.0 110.936 176.152 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.951 -0.071 . . . . 50.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 50.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 50.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 50.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 50.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 50.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 50.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 50.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 50.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 50.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 50.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 50.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 50.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 50.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 50.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 50.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 50.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 50.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 50.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 50.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 50.0 110.791 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 50.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 50.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 50.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 50.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 50.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 50.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 50.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 50.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 50.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 50.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 50.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 50.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 50.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 109.961 -0.385 . . . . 50.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 50.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 50.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 50.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 50.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 50.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 50.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 50.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 50.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 50.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 177.014 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.635 0.235 . . . . 50.0 111.635 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 50.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 50.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 50.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 50.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 50.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 50.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 50.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 50.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 50.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 50.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 50.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 50.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 50.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 50.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 50.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 50.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 50.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 50.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 50.0 110.903 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 50.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 50.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 50.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 50.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 50.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 50.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 50.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 50.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 50.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 50.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 50.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.655 0.264 . . . . 50.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 50.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 50.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 50.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 50.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 50.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 50.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 50.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 50.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 50.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 50.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 50.0 110.265 176.906 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 50.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 50.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 50.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 50.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 50.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 50.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 50.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 50.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 50.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 50.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 50.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 50.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 50.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 50.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 50.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 50.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 50.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 50.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 50.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 50.0 110.65 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 50.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 50.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 50.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 50.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 50.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 50.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 50.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 50.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 50.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 50.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 50.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 50.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 50.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 50.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.74 0.305 . . . . 50.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 50.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 50.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 50.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 50.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 50.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 50.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 50.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 50.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 50.0 109.602 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 50.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 50.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 50.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 50.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 50.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 50.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 50.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 50.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 50.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 50.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 50.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 50.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 50.0 110.61 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 50.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 50.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 50.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 50.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 50.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 50.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 50.0 110.731 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 50.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 50.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 50.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 50.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 50.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 50.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 50.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 50.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 50.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 111.652 0.242 . . . . 50.0 111.652 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 50.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 50.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 50.0 107.328 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 50.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 50.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 50.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 50.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 50.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 50.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 50.0 110.724 175.764 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 50.0 111.735 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 50.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 50.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 50.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 50.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 50.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 50.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 50.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 50.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 50.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 50.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 50.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 50.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 50.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 50.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 50.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 50.0 111.164 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 50.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 50.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 50.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 50.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 50.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 50.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 50.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 50.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 50.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 50.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 50.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 50.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.11 -0.7 . . . . 50.0 109.11 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 50.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 50.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 50.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 50.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 50.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 50.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 50.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 50.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 50.0 110.182 176.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.431 0.53 . . . . 50.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 50.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 50.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 50.0 109.719 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 50.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 50.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 50.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 50.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 50.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 50.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 50.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 50.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 50.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 50.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 50.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 50.0 111.226 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 50.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 50.0 110.46 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 50.0 110.095 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 50.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 50.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 50.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 50.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 50.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 50.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 50.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 50.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 50.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 50.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 50.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 50.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 35.3 pt . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 120.355 0.121 . . . . 50.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 50.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 50.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 50.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 50.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 50.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 50.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 50.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 50.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 50.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt . . . . . 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 50.0 110.574 174.811 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 110.427 -0.212 . . . . 50.0 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 50.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 50.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 50.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 50.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 50.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 50.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 50.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 50.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 50.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 50.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 50.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 50.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 50.0 109.796 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 50.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 50.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 50.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 50.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 50.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 50.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 50.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 50.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 50.0 110.708 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 50.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 50.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 50.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 50.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 50.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 50.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 50.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 50.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 50.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 50.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 50.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.409 -1.7 . . . . 50.0 106.409 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 50.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 50.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 50.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 50.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 50.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 175.312 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 119.828 -0.129 . . . . 50.0 111.159 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 50.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 50.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 50.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 50.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 50.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 50.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 50.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 50.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 50.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 50.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 50.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 50.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 50.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 50.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 50.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 50.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 50.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 50.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 50.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 50.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 50.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 50.0 110.732 176.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 50.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 50.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 50.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 50.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 50.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 50.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 50.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 50.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 50.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' HH ' ' HB3' ' B' ' 156' ' ' ASP . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 50.0 111.568 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 50.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.216 -0.665 0 N-CA-C 111.262 0.097 . . . . 50.0 111.262 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . 0.413 ' HB3' ' HH ' ' A' ' 49' ' ' TYR . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 50.0 109.067 173.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 50.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 50.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 50.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 50.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 50.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 50.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt . . . . . 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 50.0 110.236 174.869 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 50.0 110.994 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 50.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 50.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 50.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 50.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 50.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 50.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 50.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 50.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 50.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 50.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 50.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 50.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 50.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 50.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 50.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 50.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 50.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 50.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 50.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 50.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 50.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 50.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 50.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 50.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 50.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 50.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 50.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 50.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 50.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 50.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 106.076 -1.824 . . . . 50.0 106.076 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 50.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 50.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 50.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 50.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 50.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 50.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 50.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 50.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 50.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 50.0 110.937 174.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.266 0.469 . . . . 50.0 112.266 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 50.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 50.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 50.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 50.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 50.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 50.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 50.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 50.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 50.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 50.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 50.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 50.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 50.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 50.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 50.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 50.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 50.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 50.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 50.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 50.0 110.861 178.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 50.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 50.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 50.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 50.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 50.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 50.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 50.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 50.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 50.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 50.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 50.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 50.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 50.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.159 -0.312 . . . . 50.0 110.159 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 50.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 50.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 50.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 50.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 50.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 50.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 50.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 50.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 50.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 174.749 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 50.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 50.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 50.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 50.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 50.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 50.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 50.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 50.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 50.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 50.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 50.0 110.035 -177.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 50.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 50.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 50.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 50.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 50.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 50.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 50.0 110.303 173.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 50.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 50.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 50.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 50.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 50.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 50.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 50.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 50.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 50.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 50.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 50.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.661 0.267 . . . . 50.0 111.679 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 50.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 50.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 50.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 50.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 50.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 50.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 50.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 50.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 50.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 50.0 110.231 175.833 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 50.0 111.191 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 50.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 50.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 50.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 50.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 50.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 50.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 50.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 50.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 50.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 50.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 50.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 50.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 50.0 110.284 -173.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 50.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 50.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 50.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 50.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 50.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 50.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 50.0 110.093 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 50.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 50.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 50.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 50.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 50.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 50.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 50.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 50.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 50.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 50.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 50.0 107.064 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 50.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 50.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 50.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 50.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 50.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 50.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 50.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 50.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 50.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 50.0 110.457 176.168 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 50.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 50.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 50.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 50.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 50.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 50.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 50.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 50.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 50.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 50.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 50.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 50.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 50.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 50.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 50.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 50.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 50.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 50.0 110.51 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 50.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 50.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 50.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.058 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 50.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 50.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 50.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 50.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 50.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 50.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 50.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 50.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 50.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 50.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 50.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 50.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 50.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 50.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 50.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 50.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 50.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 50.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm . . . . . 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 50.0 109.424 175.604 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 50.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 50.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 50.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 50.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 50.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 50.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 50.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 50.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 50.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 50.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 50.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 50.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 50.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 50.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 50.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 50.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 50.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 50.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 50.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 50.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 50.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 50.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 50.0 110.353 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 50.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 50.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 50.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 50.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 50.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 50.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 50.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 50.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 50.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 50.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 50.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 50.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 50.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 109.626 -0.509 . . . . 50.0 109.626 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 50.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 50.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 50.0 108.895 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 50.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 50.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 50.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 50.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 50.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 50.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 50.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 50.0 110.514 176.683 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.758 0.281 . . . . 50.0 111.758 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 50.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 50.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 50.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 50.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 50.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 50.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 50.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 50.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 50.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 50.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 50.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 50.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 50.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 50.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 50.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 50.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 50.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 50.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 50.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 50.0 109.623 175.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 50.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 50.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 50.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 50.0 111.079 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 50.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 50.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 50.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 50.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 50.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 50.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 50.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 50.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 50.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.372 0.13 . . . . 50.0 111.278 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 50.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 50.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 50.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 50.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 50.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 50.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 50.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 50.0 111.847 -179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 50.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 50.0 111.058 175.503 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 112.15 0.426 . . . . 50.0 112.15 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 50.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 50.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 50.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 50.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 50.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 50.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 50.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 50.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 50.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 50.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 50.0 110.861 -177.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 50.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 50.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 50.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 50.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 50.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 50.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 50.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 50.0 110.517 178.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 50.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 50.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 50.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 50.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 50.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 50.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 50.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 50.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 50.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 50.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 50.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 50.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 50.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 50.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 50.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 50.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 50.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 50.0 109.881 177.209 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 111.861 0.319 . . . . 50.0 111.861 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 50.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 50.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 50.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 50.0 108.031 -179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 50.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 50.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 50.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 50.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 50.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 50.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 50.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 50.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 50.0 110.86 -179.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 50.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 50.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 50.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 50.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 50.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 50.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 50.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 50.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 50.0 110.576 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 50.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 50.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 50.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 50.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 50.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 50.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 50.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 50.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 50.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 50.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 50.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 50.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 50.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 50.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 108.067 -1.086 . . . . 50.0 108.067 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 50.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 50.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 50.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 50.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 50.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 50.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 50.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 50.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 50.0 110.005 177.586 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--O 1.217 -0.632 0 N-CA-C 111.823 0.305 . . . . 50.0 111.823 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 50.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 50.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 50.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 50.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 50.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 50.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 50.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 50.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 50.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 50.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 50.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 50.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 50.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 50.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 50.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 50.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 50.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 50.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 50.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 50.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 50.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 50.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 50.0 110.248 176.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 50.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 50.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 50.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 50.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 50.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 50.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 50.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 50.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 50.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 50.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 50.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 50.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.7 pt . . . . . 0 C--O 1.213 -0.841 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 50.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 50.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 50.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 50.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 50.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 50.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 50.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 50.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 50.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 50.0 108.967 178.163 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.052 0.39 . . . . 50.0 112.052 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 50.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 50.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 50.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 50.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 50.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 50.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 50.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 50.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 50.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 50.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 50.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 50.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 50.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 50.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 50.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 50.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 50.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 50.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 50.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 50.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 50.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 50.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 50.0 111.091 178.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 50.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 50.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 50.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 50.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 50.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 50.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 50.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 50.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 50.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 50.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 50.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 50.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 50.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 120.317 0.103 . . . . 50.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 50.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 50.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 50.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 50.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 50.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 50.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 50.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 50.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 50.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 50.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 50.0 110.329 175.866 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.583 0.216 . . . . 50.0 111.583 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 50.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 50.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 50.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 50.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 50.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 50.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 50.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 50.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 50.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 50.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 50.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 50.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 50.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 50.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 50.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 50.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 50.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 50.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 50.0 111.751 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 50.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 50.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 50.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 50.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 50.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 50.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 50.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 50.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 50.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 50.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 50.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 50.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 109.285 -0.635 . . . . 50.0 109.285 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 50.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 50.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 50.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 50.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 50.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 50.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 50.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 50.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . 0.471 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt . . . . . 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 50.0 110.376 177.527 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.446 0.165 . . . . 50.0 110.987 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 50.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 50.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 50.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 50.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 50.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 50.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 50.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 50.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 50.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' HH ' HG12 ' B' ' 171' ' ' VAL . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 50.0 111.669 178.678 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 50.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 50.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 50.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 50.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 50.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 50.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 50.0 111.075 178.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 50.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 -178.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 50.0 111.191 176.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 50.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 50.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 50.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 50.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 50.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 50.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 50.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 50.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 50.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 50.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 50.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.044 -0.725 . . . . 50.0 109.044 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 50.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 50.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 50.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 50.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 50.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 50.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 50.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 50.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . 0.471 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 50.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 50.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . 0.482 HG12 ' HH ' ' A' ' 22' ' ' TYR . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt . . . . . 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 50.0 110.235 177.161 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.262 0.468 . . . . 50.0 112.262 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 50.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 50.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 50.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 50.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 50.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 50.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 50.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 50.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 50.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 50.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 50.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 50.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 50.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 50.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 50.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 50.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 50.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 50.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 50.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 50.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 50.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 50.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 50.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 50.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 50.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 50.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 50.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 50.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 50.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 50.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 50.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 50.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt . . . . . 0 C--O 1.203 -1.347 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 50.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 50.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 50.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 50.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 50.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 50.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 50.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 176.894 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 112.32 0.489 . . . . 50.0 112.32 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 50.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 50.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 50.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 50.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 50.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 50.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 50.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 50.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 50.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 50.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 50.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 50.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 50.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 50.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 50.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 50.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 50.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 50.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 50.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 50.0 110.967 177.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 50.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 50.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 50.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 50.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 50.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 50.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 50.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 50.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 50.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 50.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 50.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.004 -1.11 . . . . 50.0 108.004 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 50.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 50.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 50.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 50.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 50.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 50.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 50.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 50.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 50.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 175.009 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.371 0.508 . . . . 50.0 112.371 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 50.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 50.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 50.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 50.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 50.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 50.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 50.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 50.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 50.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 50.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 50.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 50.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 50.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 50.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 50.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 50.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 50.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 50.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 50.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 50.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 50.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 50.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 50.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 50.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 50.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 50.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 50.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 50.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 50.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 50.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 50.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.409 HE22 ' HB2' ' B' ' 162' ' ' LYS . 39.5 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 50.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 50.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 50.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 50.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . 0.409 ' HB2' HE22 ' A' ' 52' ' ' GLN . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 50.0 111.957 178.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 50.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 50.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 50.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 50.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 50.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 50.0 109.942 176.43 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.21 -1.023 0 N-CA-C 109.654 -0.498 . . . . 50.0 109.654 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 50.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 50.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 50.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 50.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 50.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 50.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 50.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 50.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 50.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 50.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 50.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 50.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 50.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 50.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 50.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 50.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 50.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 50.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 50.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 50.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 50.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 50.0 110.128 177.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 50.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 50.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 50.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 50.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 50.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 50.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 50.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 50.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 50.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 50.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 50.0 112.206 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 50.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 50.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 50.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 50.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 50.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 50.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 50.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 50.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 50.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 175.244 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 120.687 0.28 . . . . 50.0 110.792 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 50.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 50.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 50.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 50.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 50.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 50.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 50.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 50.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 50.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 50.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 50.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 50.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 50.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 50.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 50.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 50.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 50.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 50.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 50.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 50.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 178.12 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 50.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 50.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 50.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 50.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 50.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 50.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 50.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 50.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 50.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 50.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 50.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 106.781 -1.563 . . . . 50.0 106.781 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 50.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 50.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 50.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 50.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 50.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 50.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 50.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 50.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 50.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 50.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 50.0 109.306 175.761 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 50.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 50.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 50.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 50.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 50.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 50.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 50.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 50.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 50.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 50.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 50.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 50.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 50.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 50.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 50.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 50.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 50.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 50.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 50.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 50.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 50.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 50.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 50.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 50.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 50.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 50.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 50.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 50.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 50.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 50.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 50.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 50.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--O 1.235 0.328 0 N-CA-C 106.011 -1.848 . . . . 50.0 106.011 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 50.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 50.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 50.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 50.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 50.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 50.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 50.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 50.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 50.0 109.387 175.287 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 50.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 50.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 50.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 50.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 50.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 50.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 50.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 50.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 50.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 50.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 50.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 50.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 50.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 50.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 50.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 50.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 50.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 50.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 50.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 50.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 50.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 50.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 50.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 50.0 111.06 178.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 50.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 50.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 50.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 50.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 50.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 50.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 50.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 50.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 50.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 50.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 50.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 50.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 50.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 50.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 50.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 50.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 50.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 50.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 50.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 50.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 50.0 109.113 174.132 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.926 0.87 . . . . 50.0 111.672 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 50.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 50.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 50.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 50.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 50.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 50.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 50.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 50.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 50.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 50.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 50.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 50.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 50.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 50.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 50.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 50.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 50.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 50.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 50.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 50.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 50.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 50.0 110.175 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 50.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 50.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 50.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 50.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 50.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 50.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 50.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 50.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 50.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 50.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 50.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 50.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 50.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 50.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 50.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 50.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 50.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 50.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt . . . . . 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 50.0 109.708 178.055 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 111.361 0.134 . . . . 50.0 111.361 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 50.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 50.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 50.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 50.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 50.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 50.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 50.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 50.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 50.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 50.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 50.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 50.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 50.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 50.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 50.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 50.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 50.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 50.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 50.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 50.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 50.0 110.477 178.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 50.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 50.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 50.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 50.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 50.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 50.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 50.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 50.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 50.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 50.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 50.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 50.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 50.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 50.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 50.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 50.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 50.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 50.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 50.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 50.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt . . . . . 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 50.0 111.543 177.266 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.124 0.488 . . . . 50.0 110.447 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 50.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 50.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 50.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 50.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 50.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 50.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 50.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 50.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 50.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 50.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 50.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 50.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 50.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 50.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 50.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 50.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 50.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 50.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 50.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 50.0 111.612 178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 50.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 50.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 50.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 50.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 50.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 50.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 50.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 50.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 50.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 50.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 50.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 50.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 50.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--O 1.257 1.456 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 50.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 50.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 50.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 50.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 50.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 50.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 50.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 50.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 50.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 50.0 110.305 175.071 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 50.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 50.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 50.0 110.362 -175.119 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.775 -178.287 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 50.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 50.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 50.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 50.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 50.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 50.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 50.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 50.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 50.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 50.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 50.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 50.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 50.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 50.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 50.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 50.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 50.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 50.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 50.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 50.0 107.87 179.728 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 50.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 50.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 50.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 50.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 50.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 50.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 50.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 50.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 50.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 50.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 50.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 50.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 50.0 105.636 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 50.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 50.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 50.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 50.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 50.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 50.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 50.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 50.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 50.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 50.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 50.0 109.691 -179.246 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 115.269 1.581 . . . . 25.0 115.269 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 57.48 24.39 10.21 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.413 1.485 . . . . 50.0 112.326 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -58.13 -22.24 50.16 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -64.81 -33.85 76.96 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.478 -0.764 . . . . 50.0 111.49 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 50.0 110.455 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 50.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 50.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 50.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 50.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 50.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 50.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 50.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 50.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 50.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 50.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 50.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 50.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 50.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 50.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 50.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 50.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 50.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 50.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 50.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 50.0 110.605 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 50.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 50.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 50.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 50.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 50.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 50.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 50.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 50.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 50.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 50.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 50.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.67 -39.69 85.33 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.84 -28.19 64.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.735 0.272 . . . . 50.0 111.735 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.99 -47.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 50.0 111.24 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.31 -28.84 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.524 0.678 . . . . 50.0 109.216 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.92 -42.31 76.99 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.576 -0.738 . . . . 50.0 110.409 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.45 96.23 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.75 -42.18 97.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 50.0 110.032 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -62.97 -44.35 96.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.693 0.282 . . . . 25.0 111.132 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.62 -37.35 87.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.102 -0.374 . . . . 50.0 111.016 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.11 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.676 0.274 . . . . 25.0 111.373 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.73 -24.52 49.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.978 0.418 . . . . 25.0 110.432 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.35 -54.91 3.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.561 0.578 . . . . 50.0 112.561 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 44.4 37.71 2.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.135 0.974 . . . . 50.0 112.928 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -114.39 25.86 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 50.0 112.286 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 52.76 36.71 21.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.743 1.259 . . . . 50.0 110.131 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 . . . . . 0 C--O 1.211 -0.923 0 CA-C-O 124.132 1.92 . . . . 25.0 109.955 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 123.807 1.782 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.73 35.62 24.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.074 -2.063 . . . . 25.0 111.995 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 28.0 ptm -69.42 147.1 51.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 25.0 110.06 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 81.7 t -135.56 134.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -135.64 146.43 47.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.32 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -138.66 165.77 26.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.194 -1.78 . . . . 50.0 106.194 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 37.5 m -144.39 147.27 33.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -149.82 139.05 21.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.999 -2.593 . . . . 25.0 103.999 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.92 129.48 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 p -137.78 116.0 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 105.55 -2.018 . . . . 25.0 105.55 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.81 175.05 13.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.46 153.55 42.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.35 33.45 2.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 114.255 0.462 . . . . 25.0 114.255 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.65 3.91 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p 47.11 44.04 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.922 -1.035 . . . . 25.0 113.768 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.06 127.59 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.154 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.38 149.92 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 103.958 -2.608 . . . . 25.0 103.958 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 107.84 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.86 0 C-N-CA 128.366 2.667 . . . . 25.0 113.985 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.53 150.52 69.73 Favored 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 112.629 -4.448 . . . . 25.0 111.901 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.66 119.15 44.81 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.869 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.71 145.36 36.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 116.338 -1.974 . . . . 50.0 111.911 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 pp -156.32 158.93 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.406 -0.961 . . . . 50.0 108.406 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt 98.29 -52.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.43 0 C-N-CA 128.237 2.615 . . . . 50.0 118.009 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -61.38 130.19 31.07 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 113.634 -3.778 . . . . 25.0 112.695 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.33 22.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.598 0.713 . . . . 25.0 109.313 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 34.0 t -83.27 119.73 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.011 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -129.14 158.47 72.8 Favored Pre-proline 0 C--O 1.24 0.567 0 N-CA-C 105.945 -1.872 . . . . 50.0 105.945 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.59 156.32 61.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.122 -1.452 . . . . 50.0 113.042 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.3 t -142.28 152.58 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -131.68 22.21 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 129.58 -163.21 22.74 Favored Glycine 0 C--O 1.235 0.168 0 N-CA-C 109.356 -1.498 . . . . 50.0 109.356 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.56 155.39 69.16 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.283 1.541 . . . . 50.0 111.486 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.35 6.99 3.97 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 114.627 0.972 . . . . 50.0 114.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.96 -163.48 50.93 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 109.987 -1.245 . . . . 25.0 109.987 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -148.3 40.03 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.951 -1.5 . . . . 25.0 106.951 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -107.74 -0.84 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.967 -1.015 . . . . 25.0 112.274 -168.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.88 -160.08 53.89 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.15 154.12 25.38 Favored Glycine 0 CA--C 1.508 -0.405 0 N-CA-C 106.594 -2.603 . . . . 25.0 106.594 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.0 m 50.08 42.47 24.95 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 117.369 0.584 . . . . 25.0 111.447 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.42 59.44 5.06 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.419 1.104 . . . . 50.0 110.25 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.92 160.24 25.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.608 -1.178 . . . . 50.0 108.086 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.8 p -146.51 157.91 43.82 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.866 -1.902 . . . . 25.0 105.866 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.45 133.96 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.78 122.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.1 p -107.4 -9.2 16.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 122.696 1.236 . . . . 25.0 109.601 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.46 29.28 5.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 111.941 -2.39 . . . . 50.0 114.253 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.78 40.37 2.98 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.061 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.85 103.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.099 0.476 . . . . 25.0 110.272 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 123.4 43.91 0.34 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.584 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.41 145.8 55.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp 59.45 -83.88 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.804 1.779 . . . . 50.0 115.804 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.3 m -154.96 85.92 1.1 Allowed 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.236 0.614 . . . . 25.0 109.482 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.1 p -87.17 28.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 122.404 1.097 . . . . 25.0 109.959 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt -141.21 166.62 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.348 -0.842 . . . . 50.0 110.679 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 50.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 50.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 50.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 50.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 50.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 50.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 50.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 50.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 50.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 50.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -64.07 -33.79 76.56 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 50.0 111.093 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.93 -27.78 43.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.086 0.773 . . . . 50.0 113.086 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.17 -33.18 75.18 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.773 0.796 . . . . 50.0 108.876 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -65.17 -30.83 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.527 -1.215 . . . . 50.0 111.204 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 153.43 130.34 1.47 Allowed Glycine 0 C--O 1.223 -0.579 0 C-N-CA 121.328 -0.463 . . . . 25.0 113.019 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -83.82 16.57 31.06 Favored Glycine 0 C--O 1.222 -0.61 0 O-C-N 122.259 -0.553 . . . . 25.0 113.852 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.85 -0.33 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.986 0.898 . . . . 50.0 110.908 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -138.85 94.64 2.85 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.75 -1.113 . . . . 25.0 109.025 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 124.94 2.305 . . . . 25.0 110.787 -178.698 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 123.973 1.844 . . . . 25.0 113.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -64.53 -27.94 69.31 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 120.413 -1.429 . . . . 50.0 110.764 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.41 -34.86 78.65 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.961 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -75.97 -35.93 59.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.187 0.449 . . . . 50.0 110.216 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 50.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 50.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 50.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 50.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 50.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 50.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 50.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 50.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 50.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 50.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 50.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 50.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 50.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 50.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 50.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 50.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 50.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 50.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 50.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 50.0 110.738 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 50.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 50.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 50.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 50.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 50.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 50.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 50.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 50.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 50.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 50.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 50.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -61.08 -40.93 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.19 -34.86 79.06 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.87 -0.332 . . . . 50.0 110.979 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -72.73 -48.74 44.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.83 -0.348 . . . . 50.0 111.81 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.84 -29.24 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.478 0.656 . . . . 50.0 109.579 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.0 tp -69.47 -43.42 73.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.812 -0.631 . . . . 50.0 110.73 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.28 97.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.0 -41.52 97.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.265 -0.425 . . . . 50.0 110.399 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -62.21 -46.64 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.73 0.3 . . . . 25.0 111.031 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -65.52 -35.76 81.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.051 -0.405 . . . . 50.0 111.552 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.93 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.17 -30.0 54.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.24 -54.85 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.53 22.03 1.42 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.265 1.026 . . . . 50.0 113.492 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -117.92 41.49 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.871 -0.518 . . . . 50.0 110.991 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 55.8 39.39 30.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.959 1.361 . . . . 50.0 110.159 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 . . . . . 0 C--O 1.214 -0.78 0 C-N-CA 125.049 1.34 . . . . 25.0 109.439 -177.396 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 123.019 1.344 . . . . 25.0 115.419 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.07 18.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.626 -0.926 . . . . 25.0 108.873 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.2 ptp -130.07 149.91 51.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.83 123.62 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -118.93 130.1 55.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.76 92.26 2.05 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.09 134.01 25.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -159.93 155.63 25.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 104.316 -2.476 . . . . 25.0 104.316 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.08 36.12 1.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 49.67 44.69 24.66 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 m -77.48 59.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.882 0.849 . . . . 25.0 112.925 -177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.72 78.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 22.4 ptp -153.14 165.43 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.414 -0.588 . . . . 50.0 109.414 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.84 130.19 5.49 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -78.63 -52.72 8.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 50.0 111.984 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 31.5 p 57.54 14.17 2.2 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.32 123.96 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.408 0.623 . . . . 25.0 110.393 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.89 113.41 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.29 -48.61 87.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -76.81 84.69 1.87 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 115.926 -2.249 . . . . 25.0 114.912 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 57.16 82.3 0.24 Allowed Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.41 3.93 6.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 N-CA-C 115.045 1.133 . . . . 50.0 115.045 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -102.21 149.35 24.39 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.735 -1.121 . . . . 50.0 110.323 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 9.3 pttt 86.64 -14.66 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.482 0 N-CA-C 121.336 3.828 . . . . 50.0 121.336 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.97 112.91 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.034 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 72.1 p -134.24 172.67 12.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.3 t -144.98 121.02 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.609 -2.367 . . . . 25.0 104.609 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.42 81.36 64.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 50.0 110.877 -171.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.5 147.03 45.51 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.034 -0.844 . . . . 50.0 112.806 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 44.8 p -123.0 11.73 9.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.171 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -66.22 141.68 57.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.58 171.4 41.5 Favored Glycine 0 C--O 1.235 0.211 0 N-CA-C 109.744 -1.342 . . . . 50.0 109.744 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.0 155.48 38.41 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 CA-C-N 119.273 1.537 . . . . 50.0 112.988 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.37 152.05 49.01 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 117.475 -1.217 . . . . 50.0 112.327 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.75 48.87 0.94 Allowed Glycine 0 C--O 1.223 -0.578 0 CA-C-N 116.499 -0.319 . . . . 25.0 112.443 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -123.9 75.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.77 155.87 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.23 -153.84 36.14 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 121.406 -0.426 . . . . 25.0 113.609 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 83.62 -10.11 60.38 Favored Glycine 0 C--O 1.225 -0.422 0 N-CA-C 116.023 1.169 . . . . 25.0 116.023 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 50.1 m -109.61 91.39 3.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.557 0.678 . . . . 25.0 111.874 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -146.38 89.82 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.72 143.27 35.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.803 -0.635 . . . . 50.0 110.555 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.8 p -157.35 164.52 37.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 105.396 -2.076 . . . . 25.0 105.396 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.67 131.89 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.7 120.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.5 t -130.97 -0.33 4.19 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.402 1.096 . . . . 25.0 111.694 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.61 21.14 0.53 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.828 -1.533 . . . . 50.0 113.934 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.29 29.64 3.89 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 114.339 0.495 . . . . 25.0 114.339 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.7 p -151.22 142.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 158.14 -77.05 0.19 Allowed Glycine 0 C--O 1.23 -0.137 0 N-CA-C 110.066 -1.214 . . . . 25.0 110.066 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -70.12 161.14 30.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.04 0.447 . . . . 50.0 110.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 41.5 tp -122.3 -80.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.488 0.661 . . . . 50.0 111.135 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.4 p -148.72 108.24 3.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.64 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.66 27.32 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 105.91 -1.885 . . . . 25.0 105.91 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.19 171.4 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 113.409 -1.723 . . . . 50.0 108.51 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 50.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 50.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 50.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 50.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 50.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 50.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 50.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 50.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 50.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.48 -32.71 74.23 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 50.0 110.561 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.93 -36.7 41.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.704 1.372 . . . . 50.0 114.704 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.88 -17.33 63.35 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.342 0.592 . . . . 50.0 109.9 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -73.81 -11.47 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.573 -0.739 . . . . 50.0 112.293 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -108.25 -87.53 1.91 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.075 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.48 -43.7 2.59 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 114.065 0.386 . . . . 25.0 114.065 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.41 0.38 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.461 1.652 . . . . 50.0 115.461 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.48 67.57 8.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.393 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . 0.346 7.5 p . . . . . 0 N--CA 1.494 1.767 0 C-N-CA 127.897 2.479 . . . . 25.0 116.844 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 124.463 2.078 . . . . 25.0 114.746 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -86.11 144.44 27.52 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 119.875 -1.766 . . . . 50.0 108.742 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.8 -34.24 72.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.689 -0.405 . . . . 50.0 110.173 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.22 -32.32 69.84 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 50.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 50.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 50.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 50.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 50.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 50.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 50.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 50.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 50.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 50.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 50.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 50.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 50.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 50.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 50.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 50.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 50.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 50.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 50.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 50.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 50.0 109.79 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 50.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 50.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 50.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 50.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 50.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 50.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 50.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 50.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 50.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 50.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 50.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 50.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 50.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.0 -40.68 94.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -67.41 -32.97 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.16 -0.216 . . . . 50.0 111.447 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -72.99 -48.3 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 122.078 -0.389 . . . . 50.0 111.288 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.44 -30.46 70.82 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.426 0.631 . . . . 50.0 109.53 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.24 -42.76 79.24 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.967 -0.561 . . . . 50.0 110.396 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.93 97.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.39 -42.58 96.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 50.0 110.019 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.35 -43.84 96.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.179 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -64.88 -36.47 84.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.252 -0.28 . . . . 50.0 110.915 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -26.95 64.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.859 -0.155 . . . . 25.0 111.122 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 -40.22 30.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.184 0.516 . . . . 25.0 110.387 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.9 -52.04 16.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.931 0.715 . . . . 50.0 112.931 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 52.75 24.02 3.02 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.391 1.626 . . . . 50.0 115.391 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -103.1 34.28 2.95 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.316 1.228 . . . . 50.0 114.316 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 43.62 57.53 3.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.011 1.486 . . . . 50.0 115.011 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.569 1.652 . . . . 25.0 110.756 176.165 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 122.697 1.165 . . . . 25.0 115.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.01 163.78 31.48 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.1 mtm -127.8 146.32 50.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.5 125.14 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.33 6.92 7.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.236 1.017 . . . . 25.0 112.105 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.89 132.66 42.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.859 -1.064 . . . . 25.0 112.346 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -139.37 59.88 1.59 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -66.95 146.72 54.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.109 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 137.81 41.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.38 -11.71 61.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.77 98.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.82 -176.28 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.7 ptp -147.16 166.53 26.67 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.099 -1.815 . . . . 50.0 106.099 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.34 6.58 10.74 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 108.992 -1.643 . . . . 25.0 108.992 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -137.84 91.62 2.6 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.761 -1.22 . . . . 50.0 109.58 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.1 p -82.82 -7.15 59.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -133.51 123.03 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 54.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 122.638 1.209 . . . . 25.0 113.063 -174.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.44 -73.81 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 114.486 -1.234 . . . . 25.0 108.026 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.42 178.14 7.74 Favored 'Trans proline' 0 C--N 1.359 1.127 1 C-N-CA 111.729 -5.047 . . . . 25.0 109.495 166.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.57 147.74 95.07 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 106.395 -1.705 . . . . 25.0 106.395 171.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.58 -1.89 7.45 Favored 'Trans proline' 0 C--N 1.352 0.741 0 N-CA-C 116.676 1.76 . . . . 50.0 116.676 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.08 149.79 50.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.262 -0.881 . . . . 50.0 108.925 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -115.51 -58.0 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.17 166.69 26.06 Favored 'Trans proline' 0 C--N 1.359 1.096 1 C-N-CA 112.479 -4.547 . . . . 25.0 109.123 167.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -71.26 116.35 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 t -133.51 29.29 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.385 1.088 . . . . 25.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -150.36 90.78 4.28 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 113.657 -1.611 . . . . 50.0 107.375 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.99 144.67 15.14 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 117.121 -1.452 . . . . 50.0 115.724 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 38.9 p -93.39 -5.3 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.531 -0.759 . . . . 25.0 109.496 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.8 m 59.88 -166.15 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.777 0.831 . . . . 25.0 112.94 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.5 172.81 20.28 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 110.377 -1.089 . . . . 50.0 110.377 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.65 158.48 50.59 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 CA-C-N 118.884 1.342 . . . . 50.0 112.739 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.57 139.46 44.73 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 117.093 -1.471 . . . . 50.0 112.292 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -100.22 79.5 0.47 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 115.976 -0.556 . . . . 25.0 113.873 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -139.13 118.61 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.596 0.698 . . . . 25.0 110.371 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -151.7 124.04 8.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.441 0.162 . . . . 25.0 110.902 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.46 -165.49 54.77 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.093 -0.575 . . . . 25.0 114.126 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.64 177.48 44.11 Favored Glycine 0 C--O 1.227 -0.283 0 C-N-CA 121.787 -0.244 . . . . 25.0 113.441 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m 50.49 40.09 22.44 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 25.9 tp -128.39 77.1 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.708 . . . . 50.0 110.215 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.7 164.49 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.657 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 74.0 m -153.61 161.09 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.37 157.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 mm -104.16 124.55 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.397 -1.334 . . . . 50.0 107.397 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 79.1 p -115.54 -11.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.773 0.797 . . . . 25.0 111.887 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 47.42 27.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.147 -1.842 . . . . 50.0 115.505 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.99 37.99 3.17 Favored Glycine 0 N--CA 1.46 0.274 0 O-C-N 121.753 -0.592 . . . . 25.0 113.846 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.5 p -121.32 147.29 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.648 -1.242 . . . . 25.0 107.648 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -166.45 -101.54 0.15 Allowed Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.808 -0.917 . . . . 25.0 110.808 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 64.86 170.54 0.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.57 1.148 . . . . 50.0 113.34 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 37.5 tp -156.63 142.2 17.63 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.1 m 62.81 95.83 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.25 34.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt -141.7 172.19 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 50.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 50.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 50.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 50.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 50.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 50.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 50.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 50.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.8 -40.71 95.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 50.0 110.404 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.05 -19.32 60.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.91 -10.36 56.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 50.0 110.792 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -95.08 9.59 38.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.465 0.913 . . . . 50.0 113.465 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.0 -161.49 33.14 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.364 -1.095 . . . . 25.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -119.79 -63.78 0.27 Allowed Glycine 0 C--O 1.223 -0.565 0 N-CA-C 117.174 1.63 . . . . 25.0 117.174 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.3 m -92.02 -3.88 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 -172.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.34 68.18 7.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.572 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 125.453 2.549 . . . . 25.0 110.954 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 123.517 1.627 . . . . 25.0 114.735 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -136.73 115.58 12.21 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.926 -1.109 . . . . 50.0 109.348 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -57.99 -37.03 73.48 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.02 -33.28 64.76 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 50.0 112.751 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 50.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 50.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 50.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 50.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 50.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 50.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 50.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 50.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 50.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 50.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 50.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 -175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 50.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 50.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 50.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 50.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 50.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 50.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 50.0 110.905 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 50.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 50.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 50.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 50.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 50.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 50.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 50.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 50.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 50.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 50.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 50.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 50.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 50.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 50.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.32 -44.02 88.47 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.84 -33.52 76.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.67 -49.22 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.961 -0.462 . . . . 50.0 110.446 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.83 -29.05 66.22 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.026 -0.67 . . . . 50.0 110.055 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.69 -44.98 80.31 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -42.81 78.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.911 0.386 . . . . 25.0 110.585 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -70.33 -37.17 74.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 50.0 110.612 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -61.36 -39.63 91.3 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.091 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.39 -35.16 79.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.035 -0.416 . . . . 50.0 111.415 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.94 68.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.789 0.328 . . . . 25.0 110.713 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.7 -31.1 61.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.981 0.419 . . . . 25.0 111.193 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.25 -54.67 3.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.899 0.703 . . . . 50.0 112.899 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 50.85 32.6 7.43 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.222 1.009 . . . . 50.0 110.958 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -135.49 21.62 3.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.395 -0.82 . . . . 50.0 112.131 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -133.36 115.48 14.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.299 -1.371 . . . . 50.0 107.299 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.776 2.227 . . . . 25.0 111.613 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 123.589 1.661 . . . . 25.0 115.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.74 68.38 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.546 -0.827 . . . . 25.0 111.07 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.0 mtt 52.66 34.64 16.38 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 m -98.3 52.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.653 0.739 . . . . 25.0 109.182 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 68.11 160.97 0.18 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.016 -1.447 . . . . 25.0 114.052 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.9 158.37 37.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -152.69 24.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.41 0.624 . . . . 50.0 111.687 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.2 p -90.48 136.44 33.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.6 mp -90.96 111.27 22.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.19 19.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t 38.76 82.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.55 93.0 0.48 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.019 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.4 ptp -108.85 8.97 26.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.648 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.51 -164.05 15.51 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 109.225 -1.55 . . . . 25.0 109.225 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 56.48 32.91 21.6 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.839 0.828 . . . . 50.0 112.118 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -83.3 33.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.7 p -89.66 142.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.51 0.671 . . . . 25.0 109.477 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.48 91.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.38 -32.18 8.96 Favored Pre-proline 0 CA--C 1.554 1.129 0 N-CA-C 118.124 2.638 . . . . 25.0 118.124 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -80.32 61.39 8.2 Favored 'Trans proline' 0 C--N 1.362 1.275 0 C-N-CA 115.397 -2.602 . . . . 25.0 114.391 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.99 74.6 3.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 123.02 0.528 . . . . 25.0 111.054 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.96 121.79 8.19 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 116.789 -1.674 . . . . 50.0 113.204 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.13 147.09 52.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.6 -45.14 0.25 Allowed Pre-proline 0 N--CA 1.47 0.541 0 N-CA-C 115.915 1.821 . . . . 50.0 115.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.86 -32.68 5.4 Favored 'Trans proline' 0 C--N 1.355 0.889 1 C-N-CA 113.289 -4.007 . . . . 25.0 115.257 -175.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.1 t -169.95 172.43 6.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -147.52 35.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -124.05 129.59 24.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 114.387 -1.279 . . . . 50.0 109.894 -174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.59 126.5 9.63 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 117.629 -1.114 . . . . 50.0 113.375 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.4 p -125.15 22.61 7.86 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.693 0.759 . . . . 25.0 110.246 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.2 p -67.7 142.11 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.47 174.99 27.66 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.763 -0.935 . . . . 50.0 110.763 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -73.69 147.27 39.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 CA-C-N 119.086 1.443 . . . . 50.0 113.979 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -82.53 -176.51 2.96 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 120.441 0.761 . . . . 50.0 111.766 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.71 165.76 27.53 Favored Glycine 0 C--O 1.23 -0.118 0 N-CA-C 108.669 -1.772 . . . . 25.0 108.669 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -150.94 178.27 9.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -129.44 169.56 14.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 174.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -166.12 -172.31 33.31 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 109.864 -1.294 . . . . 25.0 109.864 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.81 160.52 27.45 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 109.909 -1.276 . . . . 25.0 109.909 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.6 t -160.58 -152.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.614 -2.736 . . . . 25.0 103.614 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.0 tp 56.19 52.08 10.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.052 0.941 . . . . 50.0 112.334 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.43 130.36 56.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.557 -0.905 . . . . 50.0 108.557 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 58.7 p -152.68 130.59 11.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.21 123.33 23.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.48 -1.304 . . . . 25.0 107.48 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.37 115.25 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.627 -0.508 . . . . 50.0 109.627 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.23 82.73 1.97 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.549 1.166 . . . . 25.0 110.21 177.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -128.32 68.6 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.641 -1.618 . . . . 50.0 109.751 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.25 14.62 76.78 Favored Glycine 0 N--CA 1.462 0.384 0 CA-C-O 122.427 1.015 . . . . 25.0 112.839 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 56.9 t -77.31 107.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 122.223 -0.575 . . . . 25.0 111.017 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.85 30.3 39.45 Favored Glycine 0 CA--C 1.51 -0.274 0 N-CA-C 116.174 1.23 . . . . 25.0 116.174 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -66.7 140.22 57.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.184 0.516 . . . . 50.0 110.6 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.94 133.47 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 50.0 111.65 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.7 m -121.12 82.28 1.9 Allowed 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.12 25.62 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 122.544 1.164 . . . . 25.0 110.047 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt -133.2 166.5 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.437 -0.801 . . . . 50.0 110.362 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 50.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 50.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 50.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 50.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 50.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 50.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 50.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 50.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 50.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 50.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.62 -41.2 96.34 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 50.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.3 -25.72 58.13 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.836 1.051 . . . . 50.0 113.836 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.73 -28.01 69.66 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.629 0.728 . . . . 50.0 109.726 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.07 -47.0 19.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.009 -0.996 . . . . 50.0 112.659 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 59.33 -142.13 46.96 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.173 -1.971 . . . . 25.0 108.173 -171.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.12 65.02 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 120.713 -0.756 . . . . 25.0 112.708 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.7 p -70.54 -8.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.422 1.106 . . . . 50.0 112.688 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.1 92.04 2.96 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.246 -1.343 . . . . 25.0 107.74 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.152 1.93 . . . . 25.0 113.223 -179.162 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 114.792 1.405 . . . . 25.0 114.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 63.89 123.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.844 2.057 . . . . 50.0 114.075 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -59.51 -28.64 67.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.832 0.678 . . . . 50.0 112.832 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.28 -33.29 70.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 50.0 112.638 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 50.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 50.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 50.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 50.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 50.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 50.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 50.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 50.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 50.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 50.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 50.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 50.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 50.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 50.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 50.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 50.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 50.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 50.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 50.0 110.999 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 50.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 50.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 50.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 50.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 50.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 50.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 50.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 50.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 50.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 50.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 50.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 50.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 50.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 50.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.74 -44.51 90.55 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.09 -50.85 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.113 -0.367 . . . . 50.0 110.767 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.41 -28.94 66.59 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.182 -0.607 . . . . 50.0 110.609 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.3 -44.76 74.72 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.834 -0.621 . . . . 50.0 109.903 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.03 80.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.677 0.275 . . . . 25.0 110.302 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -64.64 -39.53 93.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.034 0.445 . . . . 50.0 110.408 176.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 25.0 110.626 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.96 -36.71 82.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.998 -0.439 . . . . 50.0 110.915 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.43 65.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.398 0.148 . . . . 25.0 111.398 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -42.32 30.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.163 0.506 . . . . 25.0 110.453 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.56 -49.12 19.56 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.845 0.683 . . . . 50.0 112.845 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 53.18 20.18 1.74 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.399 1.48 . . . . 50.0 113.518 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -88.03 12.53 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.477 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.94 121.39 12.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.432 -1.321 . . . . 50.0 107.432 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 123.346 1.546 . . . . 25.0 113.301 -179.088 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 CA-C-O 124.46 2.145 . . . . 25.0 113.679 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.18 60.43 4.31 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 112.937 -1.631 . . . . 25.0 110.952 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 65.9 mtt -82.04 81.15 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.59 116.2 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -105.57 156.05 18.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.48 150.85 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.72 167.46 29.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -145.93 174.5 11.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mp -125.4 156.02 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.98 -14.46 60.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.659 0.266 . . . . 25.0 111.099 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t 54.82 28.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 122.432 1.111 . . . . 25.0 111.836 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.66 66.85 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.803 -1.09 . . . . 25.0 109.939 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 28.2 ptm -110.18 154.09 23.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.453 -1.314 . . . . 50.0 107.453 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.38 62.53 0.01 OUTLIER Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.349 -0.929 . . . . 25.0 112.377 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.21 43.53 0.54 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.82 0.848 . . . . 50.0 111.243 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 59.5 p -86.95 44.99 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.324 0.65 . . . . 25.0 112.611 -173.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.29 129.31 37.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.821 -1.548 . . . . 25.0 106.821 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.44 126.49 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.949 0.404 . . . . 25.0 110.634 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 97.82 -60.89 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 N-CA-C 118.037 2.606 . . . . 25.0 118.037 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.72 140.47 23.6 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.183 -4.745 . . . . 25.0 114.578 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.33 139.0 11.93 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.81 152.52 41.85 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 116.304 -1.998 . . . . 50.0 111.042 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 99.4 mt -109.0 141.23 41.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 48.8 tttp 100.67 -48.63 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 128.659 2.784 . . . . 50.0 115.485 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.93 163.16 39.15 Favored 'Trans proline' 0 C--N 1.356 0.948 1 C-N-CA 112.033 -4.844 . . . . 25.0 109.599 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -129.13 -4.96 4.96 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.7 p -170.03 165.85 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -141.94 126.31 10.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.137 -1.431 . . . . 50.0 107.137 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.3 123.25 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 117.552 -1.165 . . . . 50.0 114.736 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 42.8 p -120.39 100.85 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -155.52 172.1 18.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -165.49 171.51 40.76 Favored Glycine 0 C--O 1.236 0.234 0 N-CA-C 109.753 -1.339 . . . . 50.0 109.753 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.9 158.29 38.7 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 CA-C-N 119.249 1.524 . . . . 50.0 113.014 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.51 151.88 59.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.556 -1.163 . . . . 50.0 111.659 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.33 49.12 0.5 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 120.862 -0.685 . . . . 25.0 114.375 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.65 122.56 17.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.254 0.527 . . . . 25.0 110.03 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -166.35 170.54 12.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.03 -151.8 18.26 Favored Glycine 0 C--O 1.221 -0.673 0 CA-C-N 117.827 0.285 . . . . 25.0 112.435 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 87.46 1.38 83.62 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 115.53 0.972 . . . . 25.0 115.53 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -97.25 93.26 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.044 -0.68 . . . . 25.0 109.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.53 35.22 4.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.924 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.8 mt -89.73 156.18 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.925 -0.58 . . . . 50.0 111.053 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 84.3 p -153.48 170.09 21.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.46 132.11 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.2 mm -104.01 125.58 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.153 -1.055 . . . . 50.0 108.153 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 23.1 p -117.01 75.19 0.95 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.213 1.483 . . . . 25.0 110.555 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -139.61 28.88 2.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 111.736 -2.484 . . . . 50.0 109.907 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -130.5 52.22 0.84 Allowed Glycine 0 C--O 1.226 -0.368 0 CA-C-N 115.481 -0.781 . . . . 25.0 113.214 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.35 150.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.35 -114.66 1.59 Allowed Glycine 0 C--O 1.223 -0.576 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -38.25 86.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.803 0.335 . . . . 50.0 111.628 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp 65.71 -52.6 0.38 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.646 2.091 . . . . 50.0 116.646 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 22.7 m 48.05 56.3 7.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 19.95 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-O 122.306 1.051 . . . . 25.0 110.538 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt -140.04 167.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 123.64 0.776 . . . . 50.0 109.306 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 50.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 50.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 50.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 50.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 50.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 50.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 50.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 50.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 50.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.2 -33.58 75.67 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 50.0 110.261 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.145 1.165 . . . . 50.0 114.145 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.09 -19.48 66.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.19 0.995 . . . . 50.0 109.229 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -92.58 29.57 1.71 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.705 -1.134 . . . . 50.0 109.912 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.67 -42.47 3.12 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.088 -0.505 . . . . 25.0 113.801 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 85.3 15.99 65.46 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 108.69 -1.764 . . . . 25.0 108.69 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.85 56.93 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.708 0.766 . . . . 50.0 110.504 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.53 41.24 32.08 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.352 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 125.609 2.623 . . . . 25.0 112.234 -179.072 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.508 2.425 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.93 -24.88 67.25 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.785 -1.197 . . . . 50.0 112.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -61.42 -36.13 79.47 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 120.676 0.275 . . . . 50.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.35 -33.33 69.43 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.031 -0.418 . . . . 50.0 111.546 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 50.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 50.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 50.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 50.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 50.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 50.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 50.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 50.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 50.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 50.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 50.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 50.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 50.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 50.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 50.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 50.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 50.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 50.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 50.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 50.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 50.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 50.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 50.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 50.0 110.88 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 50.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 50.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 50.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 50.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 50.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 50.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 50.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 50.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 50.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 50.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 50.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 50.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -58.47 -44.22 89.2 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.23 -32.26 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.028 0.381 . . . . 50.0 112.028 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.58 -49.28 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 122.128 -0.358 . . . . 50.0 110.563 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.51 -29.43 65.93 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.22 -0.592 . . . . 50.0 110.465 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.24 -43.99 85.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.489 -0.559 . . . . 50.0 109.489 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.48 77.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.429 -0.35 . . . . 25.0 110.54 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -68.48 -35.8 78.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.999 0.428 . . . . 50.0 110.751 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -39.98 94.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.954 0.407 . . . . 25.0 110.24 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -68.86 -32.52 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.224 -0.298 . . . . 50.0 111.056 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.475 ' HA ' HE21 ' A' ' 66' ' ' GLN . . . -68.68 -30.3 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.226 -0.296 . . . . 25.0 110.759 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.53 58.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.788 0.328 . . . . 25.0 110.823 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -89.32 -54.23 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.023 0.749 . . . . 50.0 113.023 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 HE21 ' HA ' ' A' ' 63' ' ' ALA . 80.7 mm-40 52.12 22.79 2.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.416 1.086 . . . . 50.0 113.067 -175.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -101.2 22.96 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 50.0 110.499 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 56.73 38.54 29.59 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 123.19 1.471 . . . . 50.0 108.19 -172.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 123.968 1.842 . . . . 25.0 109.538 -177.295 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 CA-C-O 122.657 1.143 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.34 37.56 3.53 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.845 -0.797 . . . . 25.0 109.962 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.8 mtp -131.75 137.83 48.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 m -146.21 154.7 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.738 -1.579 . . . . 25.0 106.738 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -130.66 134.02 46.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.93 92.05 2.41 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.013 0.435 . . . . 25.0 111.614 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 -72.7 109.52 6.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.82 59.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.331 0.586 . . . . 25.0 110.94 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.07 163.83 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.09 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.98 139.38 29.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -91.39 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.794 0.807 . . . . 25.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.44 79.21 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.076 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 14.1 mmt -126.87 143.58 51.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.668 -0.493 . . . . 50.0 109.668 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.31 170.19 19.23 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 107.333 -2.307 . . . . 25.0 107.333 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -69.58 -34.1 73.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.952 0.876 . . . . 50.0 111.667 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 57.3 p 41.49 48.52 3.41 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.89 113.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.977 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.97 87.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.66 -43.83 99.36 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.04 18.71 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 115.615 -2.456 . . . . 25.0 115.558 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.03 117.9 33.99 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 121.799 -0.563 . . . . 25.0 111.071 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.83 146.69 38.29 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 116.126 -2.116 . . . . 50.0 112.458 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -91.33 146.52 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.253 10.1 pttt 85.56 -15.33 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 121.434 3.864 . . . . 50.0 121.434 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -81.26 -160.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 113.574 -3.817 . . . . 25.0 109.814 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.3 m 63.38 40.89 8.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.841 0.829 . . . . 25.0 111.594 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -67.6 132.84 48.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -113.34 89.47 14.82 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 120.964 0.411 . . . . 50.0 110.737 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -73.51 142.38 32.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 116.112 -2.125 . . . . 50.0 111.524 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -153.07 173.65 15.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -146.63 157.05 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -81.14 164.8 46.39 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.717 -0.754 . . . . 50.0 112.498 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.19 164.43 33.01 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-N 118.447 1.124 . . . . 50.0 112.238 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.17 163.58 38.07 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.662 -1.092 . . . . 50.0 111.969 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.14 -151.46 6.01 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 110.983 -0.847 . . . . 25.0 110.983 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.2 33.42 22.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.0 0.92 . . . . 25.0 112.542 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -127.11 96.9 4.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 164.81 -178.96 39.74 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.12 -1.192 . . . . 25.0 110.12 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.42 -178.33 47.73 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 108.412 -1.875 . . . . 25.0 108.412 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.0 t -160.13 145.17 14.93 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 103.73 -2.693 . . . . 25.0 103.73 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -122.88 11.9 9.7 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.966 -1.015 . . . . 50.0 108.632 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.2 mt 58.67 -164.82 0.19 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 113.527 -1.67 . . . . 50.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 34.3 t -155.03 162.63 41.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.75 148.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.39 137.89 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.713 -1.218 . . . . 50.0 107.713 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -154.55 128.74 8.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 100.544 -3.873 . . . . 25.0 100.544 173.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -141.66 30.27 1.7 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.403 -1.726 . . . . 50.0 107.82 -174.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.38 52.31 0.81 Allowed Glycine 0 C--O 1.229 -0.166 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.283 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.36 128.28 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.24 30.12 0.75 Allowed Glycine 0 N--CA 1.465 0.612 0 CA-C-O 122.569 1.094 . . . . 25.0 113.957 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -73.96 169.96 16.37 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.037 -1.081 . . . . 50.0 113.663 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 tp 65.4 112.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 116.915 2.191 . . . . 50.0 116.915 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.0 m -100.05 86.74 3.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 112.862 -1.972 . . . . 25.0 108.154 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 p -88.19 32.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-O 122.885 1.326 . . . . 25.0 109.285 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt -141.43 168.82 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 114.557 -1.202 . . . . 50.0 108.043 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 50.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 50.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 50.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 50.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 50.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 50.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 50.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -32.73 74.52 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 50.0 110.137 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.84 -32.3 46.07 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.968 1.47 . . . . 50.0 114.968 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.73 -18.01 62.8 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -77.99 4.67 11.58 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.357 -0.838 . . . . 50.0 111.243 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 105.06 -29.05 12.33 Favored Glycine 0 C--O 1.223 -0.551 0 N-CA-C 112.436 -0.266 . . . . 25.0 112.436 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.4 10.72 58.02 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 115.015 0.766 . . . . 25.0 115.015 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 19.1 m -101.97 26.0 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.537 0.684 . . . . 50.0 110.981 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.54 75.93 4.09 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.673 0.749 . . . . 25.0 111.276 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--O 1.21 -1.011 0 CA-C-O 124.601 2.143 . . . . 25.0 111.589 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 122.918 1.342 . . . . 25.0 114.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 56.9 21.64 6.33 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.241 1.417 . . . . 50.0 113.621 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -60.22 -24.26 64.7 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.532 0.567 . . . . 50.0 112.532 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -68.82 -33.34 73.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.756 -0.59 . . . . 50.0 111.937 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 50.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 50.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 50.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 50.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 50.0 110.21 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 50.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 50.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 50.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 50.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 50.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 50.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 50.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 50.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 50.0 110.143 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 50.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 50.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 50.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 50.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 50.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 50.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 50.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 50.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 50.0 110.862 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 50.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 50.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 50.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 50.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 50.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 50.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 50.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 50.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 50.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 50.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.85 -40.75 94.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.85 -30.73 69.31 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.671 -0.412 . . . . 50.0 111.508 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.76 -47.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 121.918 -0.489 . . . . 50.0 110.876 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.85 -30.67 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.066 -0.654 . . . . 75.0 109.447 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.43 -41.86 88.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 50.0 109.992 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.89 95.57 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.68 -41.94 95.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 50.0 110.856 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.54 -41.55 98.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 25.0 111.296 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -68.6 -33.18 73.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.83 -0.544 . . . . 50.0 111.246 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.01 62.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.503 0.192 . . . . 25.0 111.147 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.68 -34.35 53.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.42 -56.47 4.52 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 49.05 43.81 22.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.059 1.133 . . . . 50.0 114.059 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -116.4 -126.78 0.29 Allowed 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.836 -1.542 . . . . 50.0 106.836 174.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -120.32 48.05 1.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.022 1.391 . . . . 50.0 108.037 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 123.988 1.852 . . . . 25.0 110.346 -177.675 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.958 0 CA-C-O 124.687 2.27 . . . . 25.0 113.812 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.06 15.53 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 112.922 -1.639 . . . . 25.0 109.292 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mpp? 54.72 52.28 12.41 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 m -87.33 30.85 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.488 0.661 . . . . 25.0 112.176 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 61.54 -166.0 0.22 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.39 1.076 . . . . 25.0 112.451 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.09 166.43 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 57.5 mmm-85 -125.53 111.51 15.14 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.8 m -78.84 157.87 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.237 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.4 mp -90.02 132.94 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.57 46.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.74 54.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.54 0.686 . . . . 25.0 112.015 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.06 -27.1 63.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 61.9 mtm 59.16 -124.38 1.27 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.561 0.948 . . . . 50.0 113.561 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.41 -134.16 1.95 Allowed Glycine 0 C--O 1.217 -0.938 0 CA-C-O 119.203 -0.776 . . . . 25.0 111.454 -173.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 60.59 89.31 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.556 1.17 . . . . 50.0 112.001 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 77.2 p -77.61 20.41 0.32 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -174.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.1 p -105.16 122.58 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.7 t -79.44 102.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.723 0.773 . . . . 25.0 112.373 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 43.99 51.1 7.41 Favored Pre-proline 0 CA--C 1.555 1.173 0 N-CA-C 117.083 2.253 . . . . 25.0 117.083 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -79.35 -24.86 6.15 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 115.377 -2.615 . . . . 25.0 114.647 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -162.37 149.99 11.62 Favored Pre-proline 0 C--O 1.236 0.369 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.27 148.34 30.41 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 117.671 -1.086 . . . . 50.0 112.671 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.5 170.79 21.62 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 94.68 -44.3 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.759 1 N-CA-C 121.918 4.044 . . . . 50.0 121.918 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 122.7 8.81 Favored 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 112.788 -4.341 . . . . 25.0 115.079 -173.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 46.1 p -137.27 6.52 2.81 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.1 p -153.28 151.01 29.53 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.874 -0.517 . . . . 25.0 111.658 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.2 107.98 60.86 Favored Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 123.629 0.58 . . . . 50.0 109.907 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.83 156.45 27.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.5 -1.2 . . . . 50.0 113.031 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.7 t -124.56 17.29 8.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.936 0.874 . . . . 25.0 109.285 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 t -78.12 147.48 34.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.5 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.64 51.58 Favored Glycine 0 C--O 1.24 0.485 0 N-CA-C 109.737 -1.345 . . . . 50.0 109.737 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -68.92 158.87 56.19 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 CA-C-N 118.74 1.27 . . . . 50.0 111.83 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.27 155.34 64.48 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 117.948 -0.902 . . . . 50.0 114.097 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.57 -179.4 46.06 Favored Glycine 0 C--O 1.226 -0.37 0 N-CA-C 106.486 -2.646 . . . . 25.0 106.486 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -134.09 -35.44 0.94 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.546 1.173 . . . . 25.0 113.978 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 37.4 t30 48.47 41.33 16.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.96 149.01 48.78 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.845 -0.902 . . . . 25.0 110.845 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.57 -147.39 9.46 Favored Glycine 0 C--O 1.224 -0.51 0 C-N-CA 120.848 -0.691 . . . . 25.0 111.466 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.1 t 61.83 38.2 14.9 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.751 1.019 . . . . 25.0 113.751 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.23 43.22 3.1 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 50.0 110.611 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 42.7 t -153.36 157.21 39.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 104.637 -2.357 . . . . 25.0 104.637 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.36 129.92 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 48.2 mm -87.73 123.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 107.682 -1.229 . . . . 50.0 107.682 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.34 87.71 2.8 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.495 1.14 . . . . 25.0 110.513 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -136.78 25.05 3.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.575 -1.648 . . . . 50.0 110.603 -173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.9 31.9 6.25 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.873 1.109 . . . . 25.0 115.873 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -130.01 129.72 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 118.034 0.917 . . . . 25.0 109.175 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.06 44.96 0.2 Allowed Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.035 -0.602 . . . . 25.0 113.38 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.7 151.22 40.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.311 -0.523 . . . . 50.0 110.253 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 52.3 tp -136.64 -56.39 0.74 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.814 0.816 . . . . 50.0 112.875 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.5 m -118.55 85.75 2.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.1 -0.954 . . . . 25.0 110.843 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.89 5.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.038 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -142.35 169.5 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.183 -0.917 . . . . 50.0 111.131 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 50.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 50.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 50.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 50.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 50.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 50.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 50.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 50.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 50.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 50.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -66.52 -28.44 68.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 50.0 110.309 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -39.35 35.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.036 1.124 . . . . 50.0 114.036 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.97 -17.48 64.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.388 0.613 . . . . 50.0 109.355 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -77.7 11.65 2.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.699 0.8 . . . . 50.0 112.935 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 99.36 11.32 45.38 Favored Glycine 0 C--O 1.224 -0.511 0 O-C-N 121.839 -0.538 . . . . 25.0 114.307 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.63 35.86 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 121.152 -0.547 . . . . 25.0 112.108 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 33.65 63.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 114.088 1.144 . . . . 50.0 114.088 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -73.76 72.2 1.5 Allowed 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.319 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.527 2.108 . . . . 25.0 111.761 -177.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -61.95 -21.01 64.44 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.243 1.017 . . . . 50.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -59.59 -27.05 65.94 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.489 -0.323 . . . . 50.0 111.386 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -59.86 -33.28 71.6 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.857 -0.527 . . . . 50.0 111.956 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 50.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 50.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 50.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 50.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 50.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 50.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 50.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 50.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 50.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 50.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 50.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 50.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 50.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 50.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 50.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 50.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 50.0 109.195 -174.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 50.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 50.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 50.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 50.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 50.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 50.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 50.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 50.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 50.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 50.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 50.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 50.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 50.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 50.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 50.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 50.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 50.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 50.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 50.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.69 -42.45 88.56 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -64.09 -34.12 77.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.064 0.394 . . . . 50.0 112.064 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.49 -47.84 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.04 -0.412 . . . . 50.0 110.772 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -71.22 -29.02 64.62 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.238 -0.585 . . . . 50.0 110.411 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.15 -44.11 76.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.906 -0.588 . . . . 50.0 109.89 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.57 82.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.24 -39.42 92.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.803 0.335 . . . . 50.0 110.955 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -60.68 -43.12 98.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.73 0.3 . . . . 25.0 110.259 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.28 -32.63 66.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.273 -0.267 . . . . 50.0 111.497 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HA ' HE21 ' A' ' 66' ' ' GLN . . . -66.18 -33.16 75.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.336 -0.228 . . . . 25.0 110.756 176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.43 62.9 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.168 0.509 . . . . 25.0 110.351 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.21 -53.31 9.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.853 1.057 . . . . 50.0 113.853 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 63' ' ' ALA . 89.3 mm-40 44.92 49.04 9.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 50.0 111.951 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 18.95 2.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.805 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.41 107.44 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 124.999 2.333 . . . . 25.0 110.585 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.997 0 CA-C-O 124.278 2.043 . . . . 25.0 113.818 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.12 44.55 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 106.443 -1.688 . . . . 25.0 106.443 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.5 tpp -154.33 152.09 29.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.56 146.18 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 103.557 -2.757 . . . . 25.0 103.557 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -129.26 157.01 43.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.89 8.74 6.3 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 59.55 22.54 11.16 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.28 1.215 . . . . 50.0 114.28 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -80.73 57.58 3.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 59.1 tp -75.96 107.79 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.407 0.622 . . . . 25.0 111.202 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.05 -3.99 47.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.25 104.02 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.382 0.61 . . . . 25.0 111.696 -177.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.0 177.32 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.1 mtt -129.76 123.43 30.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.472 -1.307 . . . . 50.0 107.472 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.87 -62.25 4.44 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -82.05 50.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.677 0.791 . . . . 50.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.6 p -86.92 12.15 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.496 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -85.64 135.28 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.44 162.46 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 101.209 -3.626 . . . . 25.0 101.209 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.302 1.9 mp0 80.32 -83.65 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 127.204 2.201 . . . . 25.0 115.591 -175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.78 13.59 2.56 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 112.499 -4.534 . . . . 25.0 114.759 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.63 85.14 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 117.137 2.273 . . . . 25.0 117.137 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.07 151.93 56.23 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.522 -4.518 . . . . 50.0 114.2 -173.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.32 149.26 42.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.543 -1.208 . . . . 50.0 108.437 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.01 -33.82 10.65 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 119.158 3.022 . . . . 50.0 119.158 -175.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.19 107.69 2.49 Favored 'Trans proline' 0 C--N 1.36 1.14 1 C-N-CA 112.265 -4.69 . . . . 25.0 113.163 177.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.2 t -113.14 10.56 18.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 122.048 0.928 . . . . 25.0 110.263 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.1 p -83.62 47.35 1.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.73 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -79.33 141.65 57.61 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.978 -0.556 . . . . 50.0 109.84 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.67 132.77 20.88 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 116.238 -2.042 . . . . 50.0 112.24 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.6 t -132.6 15.24 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.628 0.728 . . . . 25.0 110.464 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.4 m -82.13 12.81 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.87 -165.61 52.49 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.972 -0.558 . . . . 50.0 111.938 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.02 164.99 34.01 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 CA-C-N 118.559 1.179 . . . . 50.0 111.594 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.75 7.23 2.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 114.939 1.092 . . . . 50.0 114.939 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.35 -173.43 39.0 Favored Glycine 0 C--O 1.225 -0.408 0 N-CA-C 111.051 -0.819 . . . . 25.0 111.051 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -127.33 -83.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -133.37 144.53 49.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.66 -174.12 54.84 Favored Glycine 0 C--O 1.223 -0.572 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.86 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.59 29.34 1.3 Allowed Glycine 0 C--O 1.222 -0.643 0 N-CA-C 111.753 -0.539 . . . . 25.0 111.753 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.4 m -94.4 45.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 25.0 111.359 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -85.66 40.09 0.83 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.549 0.69 . . . . 50.0 112.089 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 pp -149.28 159.51 44.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 50.0 110.1 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.8 p -143.0 106.78 4.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.224 0.535 . . . . 25.0 110.044 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.26 134.74 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.68 124.64 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.175 -1.046 . . . . 50.0 108.175 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 -5.34 10.13 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.448 0.642 . . . . 25.0 111.287 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.63 14.92 0.08 Allowed 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.667 2.84 . . . . 50.0 118.667 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.03 30.82 5.31 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.914 0.726 . . . . 25.0 114.914 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 59.9 t -137.4 132.01 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.95 -41.51 0.52 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.93 -178.72 5.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.802 0.334 . . . . 50.0 110.795 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 29.8 tp 68.43 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 116.133 1.901 . . . . 50.0 116.133 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.9 m -121.14 90.7 3.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.834 -1.53 . . . . 25.0 108.573 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.48 25.34 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 122.808 1.29 . . . . 25.0 108.038 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -141.34 166.08 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.488 -1.233 . . . . 50.0 108.906 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 50.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 50.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 50.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 50.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 50.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 50.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 50.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 50.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 50.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 50.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -65.84 -32.44 73.96 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 50.0 110.492 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.84 -33.6 45.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.536 1.31 . . . . 50.0 114.536 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.2 -21.41 63.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -75.47 -33.82 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 50.0 111.765 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 170.88 154.1 9.37 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.722 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.03 24.38 9.21 Favored Glycine 0 C--O 1.22 -0.733 0 O-C-N 122.228 -0.572 . . . . 25.0 113.302 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.7 -8.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.903 1.335 . . . . 50.0 110.743 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.32 75.16 10.25 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.91 -1.496 . . . . 25.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.694 1.711 . . . . 25.0 111.538 179.323 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -59.27 -32.97 70.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.06 -1.025 . . . . 50.0 111.89 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -58.1 -33.21 68.87 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.95 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -83.64 -37.81 22.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.04 -0.413 . . . . 50.0 110.981 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 50.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 50.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 50.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 50.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 50.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 50.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 50.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 50.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 50.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 50.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 50.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 50.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 50.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 50.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 50.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 50.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 50.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 50.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 50.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 50.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 50.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 50.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 50.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 50.0 109.713 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 50.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 50.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 50.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 50.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 50.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 50.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 50.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 50.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 50.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 50.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 50.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 50.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 50.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -56.49 -40.7 75.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -71.49 -31.15 66.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.017 -0.427 . . . . 50.0 111.971 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.2 t -73.84 -46.26 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.788 -0.365 . . . . 50.0 110.68 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.61 -29.41 67.92 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.22 -41.85 89.5 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.228 -0.442 . . . . 50.0 109.962 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.84 94.37 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -67.17 -40.36 86.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 50.0 110.672 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.4 -42.33 98.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.137 -0.352 . . . . 25.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -65.37 -36.54 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.989 -0.444 . . . . 50.0 110.71 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.39 -39.97 31.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.455 0.645 . . . . 25.0 109.703 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.46 -48.32 28.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.008 0.744 . . . . 50.0 113.008 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 49.65 50.71 17.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.039 -0.982 . . . . 50.0 112.571 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 56.75 45.69 21.35 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.965 -0.561 . . . . 50.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 57.86 54.55 6.05 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.772 1.272 . . . . 50.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.212 -0.897 0 CA-C-O 123.476 1.608 . . . . 25.0 112.885 178.394 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 122.66 1.145 . . . . 25.0 115.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.3 -29.57 66.35 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.502 -0.999 . . . . 25.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 87.4 mtp 48.59 42.6 19.34 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.5 122.82 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.65 -0.87 . . . . 25.0 108.65 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -132.79 141.76 48.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.99 157.12 42.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -117.79 20.49 13.37 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.979 -0.748 . . . . 50.0 108.979 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -121.82 51.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.65 -175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 tt -137.44 130.11 30.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.48 -36.49 8.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.705 0.764 . . . . 25.0 112.122 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -159.31 151.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 101.179 -3.638 . . . . 25.0 101.179 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.53 17.01 22.5 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.063 0.545 . . . . 25.0 111.1 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.9 mmt -132.59 151.29 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -104.58 153.92 17.49 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 107.639 -2.184 . . . . 25.0 107.639 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.89 -61.0 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 21.2 p 43.69 49.98 6.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.944 1.091 . . . . 25.0 113.944 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.6 135.03 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 121.832 0.825 . . . . 25.0 111.105 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.68 108.26 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.2 -32.77 5.9 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 118.22 2.674 . . . . 25.0 118.22 -172.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -76.5 11.85 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 115.071 -2.819 . . . . 25.0 115.237 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.68 155.0 78.43 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.34 135.31 42.4 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.744 -2.371 . . . . 50.0 112.517 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.33 148.73 25.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.79 -0.641 . . . . 50.0 111.24 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 81.3 tttt 94.83 -72.83 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 128.042 2.537 . . . . 50.0 115.088 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.93 150.21 34.0 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 110.474 -5.884 . . . . 25.0 110.483 176.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 12.7 t -129.61 10.76 5.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.461 1.124 . . . . 25.0 108.577 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -95.93 68.52 2.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.612 -1.176 . . . . 25.0 112.483 -175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.2 91.67 6.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.607 -0.516 . . . . 50.0 109.607 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.4 149.76 40.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.251 -2.699 . . . . 50.0 110.899 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -147.1 168.12 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.653 -1.239 . . . . 25.0 107.653 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.3 m 61.55 -172.56 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.989 0.916 . . . . 25.0 112.146 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -117.37 163.0 12.71 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.413 -1.075 . . . . 50.0 110.413 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.89 151.88 40.63 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 CA-C-N 118.797 1.298 . . . . 50.0 112.801 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -73.47 154.58 50.47 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 117.65 -1.1 . . . . 50.0 111.591 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 172.02 -173.92 45.23 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.216 -1.154 . . . . 25.0 110.216 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -149.31 172.97 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -141.78 170.78 15.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.89 -167.99 46.69 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.85 -0.69 . . . . 25.0 111.833 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 107.18 -168.93 14.47 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 110.253 -1.139 . . . . 25.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.7 m 55.35 26.86 9.16 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.111 1.152 . . . . 25.0 114.111 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.6 tp -135.22 86.44 2.25 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.877 -1.898 . . . . 50.0 105.877 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.709 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -153.39 153.04 31.77 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.53 129.97 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.1 124.54 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.853 -1.166 . . . . 50.0 107.853 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -118.21 -1.31 11.37 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.765 0.793 . . . . 25.0 110.08 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 44.84 47.18 9.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.472 -1.695 . . . . 50.0 115.568 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.51 22.4 16.82 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.929 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.8 t -94.94 125.04 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 74.74 41.22 35.11 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.583 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -50.41 -47.64 56.42 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.445 0.698 . . . . 50.0 111.936 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.9 tp 52.26 -86.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.602 1.704 . . . . 50.0 115.602 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 58.8 p -151.21 76.37 1.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.069 0.548 . . . . 25.0 111.166 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.84 5.94 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 121.488 0.661 . . . . 25.0 111.261 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt -140.37 164.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.708 0.803 . . . . 50.0 109.279 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 50.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 50.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 50.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 50.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 50.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 50.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 50.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 50.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.56 -42.43 82.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.8 mt -74.0 -32.62 63.48 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.568 1.321 . . . . 50.0 114.568 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.13 -11.94 58.63 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.687 0.676 . . . . 50.0 111.14 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -79.39 0.59 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 50.0 112.014 174.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 123.11 -27.96 5.72 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-O 120.292 -0.171 . . . . 25.0 113.031 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.11 -54.52 4.5 Favored Glycine 0 C--O 1.221 -0.661 0 CA-C-N 117.155 0.478 . . . . 25.0 112.495 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.43 1.63 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.51 0.671 . . . . 50.0 111.867 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.59 73.04 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.946 0.879 . . . . 25.0 109.91 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.642 2.163 . . . . 25.0 111.792 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.8 mtm . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 125.595 2.617 . . . . 25.0 114.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -130.66 127.63 39.29 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 119.942 -1.724 . . . . 50.0 108.361 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.32 -24.83 60.88 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 114.636 1.346 . . . . 50.0 114.636 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -70.5 -33.29 71.05 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.918 -0.489 . . . . 50.0 112.058 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 50.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 50.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 50.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 50.0 108.852 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 50.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 50.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 50.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 50.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 50.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 50.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 50.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 50.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 50.0 110.009 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 50.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 50.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 50.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 50.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 50.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 50.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 50.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 50.0 110.967 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 50.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 50.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 50.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 50.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 50.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 50.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 50.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 50.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 50.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 50.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.69 -41.19 90.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.19 -29.17 65.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.374 0.509 . . . . 50.0 112.374 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.02 -48.08 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 118.4 0.546 . . . . 50.0 111.117 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.89 -30.26 70.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.1 tp -68.33 -40.46 81.61 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 115.898 -0.592 . . . . 50.0 110.587 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.72 93.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.79 -37.22 76.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.949 0.404 . . . . 50.0 110.181 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.18 -38.26 87.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.872 0.368 . . . . 25.0 110.509 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -63.69 -37.27 86.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.167 -0.333 . . . . 50.0 110.45 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.87 -26.41 64.18 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.831 0.348 . . . . 25.0 111.15 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.68 -27.79 45.16 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.879 0.371 . . . . 25.0 110.426 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.89 -54.71 4.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.976 0.732 . . . . 50.0 112.976 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 50.94 18.79 0.56 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.073 1.509 . . . . 50.0 115.073 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -86.56 42.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.969 0.729 . . . . 50.0 112.969 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 42.95 60.53 2.45 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.935 1.087 . . . . 50.0 113.935 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? . . . . . 0 C--O 1.213 -0.867 0 CA-C-O 123.189 1.471 . . . . 25.0 112.698 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 CA-C-O 123.615 1.675 . . . . 25.0 115.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.25 164.5 36.46 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 41.2 ttm -152.75 164.64 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.005 -1.85 . . . . 25.0 106.005 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -135.64 151.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 105.352 -2.092 . . . . 25.0 105.352 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -124.96 158.75 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.41 147.38 37.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.97 154.37 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.1 p -151.99 164.86 36.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.38 152.02 51.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.9 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.52 110.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.97 17.29 5.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.755 -0.657 . . . . 25.0 110.145 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -79.28 139.69 37.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.33 -177.59 31.5 Favored Glycine 0 C--O 1.222 -0.638 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.39 -53.44 35.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.575 -0.528 . . . . 50.0 109.575 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.3 p 38.88 57.26 1.9 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.768 1.766 . . . . 25.0 115.768 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.14 96.26 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.204 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.9 t -141.69 94.82 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.305 0.574 . . . . 25.0 110.31 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -80.87 -44.75 1.24 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.74 78.91 3.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 115.589 -2.474 . . . . 25.0 115.388 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.9 72.87 4.47 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.478 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.38 146.41 44.93 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.616 -2.456 . . . . 50.0 113.082 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.41 155.46 33.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 50.0 108.86 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -66.74 -49.96 47.04 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 112.876 0.695 . . . . 50.0 112.876 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.64 152.8 48.5 Favored 'Trans proline' 0 C--N 1.355 0.902 1 C-N-CA 113.242 -4.038 . . . . 25.0 111.289 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.38 9.62 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.337 0.589 . . . . 25.0 110.687 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.5 p -159.25 151.5 21.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.63 121.84 10.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 50.0 108.709 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -78.59 126.13 7.26 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 117.432 -1.245 . . . . 50.0 114.038 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 49.9 p -123.4 12.99 9.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.623 0.725 . . . . 25.0 110.744 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.6 t -75.34 151.93 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.515 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.8 177.49 37.17 Favored Glycine 0 C--O 1.236 0.235 0 N-CA-C 109.631 -1.388 . . . . 50.0 109.631 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.74 151.89 52.3 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 CA-C-N 119.335 1.567 . . . . 50.0 112.848 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.14 159.45 37.19 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 118.017 -0.855 . . . . 50.0 112.635 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -148.2 103.54 0.26 Allowed Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -155.74 125.48 6.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 25.0 107.984 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -158.73 160.75 36.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.49 39.24 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 108.817 -1.713 . . . . 25.0 108.817 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.36 77.67 0.72 Allowed Glycine 0 C--O 1.222 -0.596 0 N-CA-C 114.657 0.623 . . . . 25.0 114.657 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.4 t -146.61 101.02 3.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.7 tp -142.33 45.45 1.64 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 122.134 0.969 . . . . 50.0 108.978 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.9 mp -79.28 134.91 36.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.517 -0.765 . . . . 50.0 110.467 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 62.3 p -155.48 153.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.3 t -140.49 129.46 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.645 -1.242 . . . . 25.0 107.645 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.53 131.58 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -126.21 -4.84 6.73 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 45.2 38.46 3.36 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.172 1.545 . . . . 50.0 115.172 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.38 35.97 3.6 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 121.675 -0.641 . . . . 25.0 114.593 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.06 152.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -141.46 -118.61 1.45 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 106.11 -2.796 . . . . 25.0 106.11 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -91.84 158.49 16.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.907 0.706 . . . . 50.0 112.907 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 55.9 tp -152.96 132.73 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.027 -1.101 . . . . 50.0 108.027 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 20.6 m -116.83 78.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.255 0.55 . . . . 25.0 110.928 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.7 18.96 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-O 122.316 1.055 . . . . 25.0 109.365 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt -140.42 166.27 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.496 -0.775 . . . . 50.0 109.475 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 50.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 50.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 50.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 50.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 50.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 50.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 50.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 50.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -70.44 -41.32 73.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 50.0 109.693 175.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.14 -40.09 68.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.416 1.265 . . . . 50.0 114.416 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.42 -12.13 28.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.419 0.628 . . . . 50.0 112.454 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -71.85 -15.15 62.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.01 0.744 . . . . 50.0 113.01 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 77.23 -31.45 1.58 Allowed Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.94 -1.91 14.69 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 116.024 1.17 . . . . 25.0 116.024 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.3 8.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.242 0.544 . . . . 50.0 109.753 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.97 97.31 3.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.809 0.814 . . . . 25.0 110.279 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.548 0.889 0 CA-C-O 125.799 2.714 . . . . 25.0 111.218 178.519 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.514 2.739 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -147.01 157.25 43.56 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 120.814 -1.179 . . . . 50.0 108.459 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.3 -32.11 68.13 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -56.22 -33.21 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.916 -0.49 . . . . 50.0 112.057 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 50.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 50.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 50.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 50.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 50.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 50.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 50.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 50.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 50.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 50.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 50.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 50.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 50.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 50.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 50.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 50.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 50.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 50.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 50.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 50.0 110.548 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 50.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 50.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 50.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 50.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 50.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 50.0 110.019 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 50.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 50.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 50.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 50.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 50.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 50.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.24 -41.17 83.6 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.07 -32.76 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.29 -0.256 . . . . 50.0 111.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.3 -47.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.427 . . . . 50.0 110.743 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.94 -30.21 70.29 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.394 -0.595 . . . . 50.0 109.394 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.9 tp -67.55 -41.38 84.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.294 -0.412 . . . . 50.0 110.972 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.8 95.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 50.0 111.23 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.26 -41.21 94.49 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 122.047 -0.408 . . . . 25.0 110.991 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.11 -38.61 91.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.882 -0.511 . . . . 50.0 110.528 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 -28.38 66.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.581 0.215 . . . . 25.0 111.581 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.99 -23.2 44.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.755 0.312 . . . . 25.0 110.837 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.21 -58.93 2.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 50.0 111.282 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 53.64 27.46 6.81 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.227 1.195 . . . . 50.0 114.227 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -100.17 21.73 12.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.617 -0.677 . . . . 50.0 111.791 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 54.32 47.94 21.86 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.606 1.193 . . . . 50.0 111.142 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 123.934 1.826 . . . . 25.0 110.992 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.042 0 CA-C-O 122.53 1.072 . . . . 25.0 115.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.14 35.38 22.27 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.879 1.271 . . . . 25.0 111.969 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.5 mtt -70.22 140.06 52.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -128.1 37.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -83.2 30.4 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.701 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.95 61.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -131.23 138.66 49.45 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.542 -0.754 . . . . 50.0 109.936 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.0 m -87.9 162.08 17.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.69 154.06 40.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.184 -1.784 . . . . 25.0 106.184 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.26 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -148.9 127.7 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.548 -2.019 . . . . 25.0 105.548 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.51 -98.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.7 mtm 63.21 -166.55 0.22 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.676 1.19 . . . . 50.0 109.491 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.41 -127.34 8.55 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -85.92 7.57 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -79.38 47.88 0.85 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.21 121.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.27 61.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.379 1.085 . . . . 25.0 109.447 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -40.39 84.45 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 117.841 2.534 . . . . 25.0 117.841 -177.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -80.35 11.07 2.99 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 115.487 -2.542 . . . . 25.0 115.42 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 123.27 83.51 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 121.877 -0.514 . . . . 25.0 111.22 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.57 5.27 5.98 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.754 1.021 . . . . 50.0 114.754 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.95 146.03 51.85 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.508 -1.223 . . . . 50.0 108.214 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -71.94 -35.17 3.36 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.16 2.281 . . . . 50.0 117.16 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -78.04 146.48 22.99 Favored 'Trans proline' 0 C--N 1.356 0.93 1 C-N-CA 111.205 -5.397 . . . . 25.0 112.339 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.7 p -70.67 124.58 24.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.962 -2.607 . . . . 25.0 103.962 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.0 p -150.5 35.47 0.63 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.768 1.27 . . . . 25.0 110.092 -170.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.21 129.01 89.69 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 113.684 -1.598 . . . . 50.0 108.978 -176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.47 126.17 11.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 N-CA-C 116.073 1.528 . . . . 50.0 116.073 -171.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.1 t -151.09 154.25 36.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.814 -2.291 . . . . 25.0 104.814 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 68.5 m -152.18 158.86 43.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.334 0.515 . . . . 25.0 110.763 -175.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.17 173.26 26.24 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.309 -0.405 . . . . 50.0 113.234 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.08 163.17 31.03 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.191 1.928 . . . . 50.0 113.338 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.49 143.56 47.66 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 117.68 -1.08 . . . . 50.0 112.478 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.18 35.67 4.84 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 116.406 -0.361 . . . . 25.0 113.827 -177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -90.3 -8.96 49.55 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -73.27 140.33 46.77 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.046 -0.409 . . . . 25.0 109.99 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.62 -157.38 15.13 Favored Glycine 0 C--O 1.219 -0.829 0 N-CA-C 110.64 -0.984 . . . . 25.0 110.64 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 102.83 12.85 31.17 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.379 0.912 . . . . 25.0 115.379 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.7 m 51.56 44.71 28.92 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.318 1.229 . . . . 25.0 114.318 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 19.02 8.86 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.414 1.264 . . . . 50.0 114.414 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt 65.52 174.02 0.22 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.985 1.314 . . . . 50.0 114.288 173.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 p -151.21 156.18 40.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.6 131.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.09 120.93 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.068 -1.456 . . . . 50.0 107.068 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -126.12 -3.72 6.91 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.345 0.593 . . . . 25.0 111.891 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 47.27 33.76 2.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.803 1.409 . . . . 50.0 114.803 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.74 -15.51 63.28 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.5 p -158.17 148.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.21 61.67 0.16 Allowed Glycine 0 C--O 1.215 -1.074 0 N-CA-C 114.458 0.543 . . . . 25.0 114.458 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.26 -43.46 96.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.286 0.543 . . . . 50.0 111.969 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.1 tp 59.78 125.66 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 117.671 2.471 . . . . 50.0 117.671 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.1 m -112.24 93.33 4.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.402 -0.811 . . . . 25.0 111.201 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 23.5 m -86.92 28.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.644 0.735 . . . . 25.0 111.561 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -141.83 167.37 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 50.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 50.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 50.0 109.499 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 50.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 50.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 50.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 50.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 50.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 50.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.67 -39.85 95.23 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 50.0 109.922 172.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.01 -36.38 64.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 114.223 1.194 . . . . 50.0 114.223 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.87 -12.93 58.21 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.52 0.6 . . . . 50.0 111.128 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -78.16 -2.75 39.08 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.312 -0.404 . . . . 50.0 111.685 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 115.58 -21.04 13.07 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 112.077 -0.409 . . . . 25.0 112.077 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.95 -57.77 4.57 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.103 0.28 . . . . 25.0 112.97 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.19 -2.85 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.107 0.956 . . . . 50.0 110.844 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -92.6 94.33 8.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.751 -1.113 . . . . 25.0 110.745 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 125.442 2.544 . . . . 25.0 109.85 175.171 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.504 2.261 0 CA-C-O 123.692 1.71 . . . . 25.0 114.328 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.84 157.46 16.37 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.374 -1.343 . . . . 50.0 107.374 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -59.06 -33.85 71.26 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-O 121.174 0.511 . . . . 50.0 110.319 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -56.83 -33.45 66.76 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 50.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 50.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 50.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 50.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 50.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 50.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 50.0 109.227 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 50.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 50.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 50.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 50.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 50.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.317 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 50.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 50.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 50.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 50.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 50.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 50.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 50.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 50.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 50.0 109.36 174.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 50.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 50.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 50.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 50.0 112.137 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 50.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 50.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 50.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 50.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 50.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 50.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 50.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 50.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 50.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 50.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.72 -37.43 78.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.102 -0.374 . . . . 50.0 111.521 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.95 -45.74 36.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 121.966 -0.458 . . . . 50.0 111.538 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -67.69 -29.73 69.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -67.54 -39.73 85.03 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.507 -0.77 . . . . 50.0 110.198 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.06 94.31 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.41 -39.99 94.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.012 0.434 . . . . 50.0 109.878 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -64.95 -41.09 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.195 -0.315 . . . . 25.0 110.967 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.06 -36.22 83.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.284 -0.26 . . . . 50.0 110.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.47 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.7 0.286 . . . . 25.0 111.38 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.99 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.104 0.478 . . . . 25.0 110.034 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.87 -52.91 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.986 0.736 . . . . 50.0 112.986 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 49.96 46.59 24.23 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.86 0.864 . . . . 50.0 111.048 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 19.46 4.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 50.0 112.006 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.43 121.29 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.382 -1.71 . . . . 50.0 106.382 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.228 1.966 . . . . 25.0 111.293 -179.57 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.041 0 N-CA-C 115.27 0.868 . . . . 25.0 115.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 55.36 29.75 13.64 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.849 1.26 . . . . 25.0 112.541 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 ptm -79.07 73.34 5.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.688 0.756 . . . . 25.0 111.982 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.69 130.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.173 -1.417 . . . . 25.0 107.173 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.0 -177.94 6.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.72 -168.8 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.896 0.878 . . . . 25.0 112.38 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 163.58 8.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 104.177 -2.527 . . . . 50.0 104.177 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.4 p -77.46 150.02 34.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -133.12 146.79 51.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -162.66 166.68 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.01 -2.589 . . . . 25.0 104.01 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t 51.49 53.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-O 122.043 0.925 . . . . 25.0 111.654 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -117.51 157.5 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -151.87 171.94 16.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.685 -1.228 . . . . 50.0 107.685 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.56 179.69 42.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 106.681 -2.567 . . . . 25.0 106.681 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -130.24 95.63 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.42 1.105 . . . . 50.0 108.253 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 69.5 p -123.54 35.58 4.82 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.731 -1.577 . . . . 25.0 107.715 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.34 135.7 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 122.139 0.971 . . . . 25.0 111.633 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.35 59.04 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.84 -46.16 92.55 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 113.929 -1.487 . . . . 25.0 114.135 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.26 -170.68 0.84 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 114.62 -3.12 . . . . 25.0 110.253 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.36 65.46 0.11 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.17 151.71 34.71 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.668 -4.421 . . . . 50.0 110.48 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.75 152.48 42.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.002 -1.481 . . . . 50.0 107.002 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.46 -40.72 0.21 Allowed Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.68 1.363 . . . . 50.0 114.68 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.4 -135.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 116.018 -2.188 . . . . 25.0 109.467 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.4 p -106.52 161.12 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -76.33 145.36 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.835 -1.913 . . . . 25.0 105.835 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 27.55 73.57 0.39 Allowed Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 115.609 1.707 . . . . 50.0 115.609 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.9 127.24 14.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 N-CA-C 113.795 0.652 . . . . 50.0 113.795 -175.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 54.2 p -85.55 46.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t 58.57 -151.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.372 0.669 . . . . 25.0 111.372 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -162.94 177.66 38.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 111.623 -0.591 . . . . 50.0 111.623 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.37 162.87 33.12 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.349 2.033 . . . . 50.0 114.097 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.04 159.36 50.31 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 118.728 -0.381 . . . . 50.0 111.901 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.8 -54.82 3.78 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -161.99 159.92 27.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.828 0.814 . . . . 25.0 109.754 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -81.68 148.21 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -103.71 -172.25 25.63 Favored Glycine 0 C--O 1.227 -0.297 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.08 161.43 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 107.36 -2.296 . . . . 25.0 107.36 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.7 t -153.17 120.2 5.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.059 0.93 . . . . 25.0 109.779 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 59.8 tp -145.43 89.57 1.94 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.116 -1.439 . . . . 50.0 107.116 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.27 127.19 43.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.7 m -154.48 157.04 37.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.46 144.59 22.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.8 mt -120.33 111.14 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.158 -1.052 . . . . 50.0 108.158 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.4 t -99.97 -4.67 29.61 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.367 1.08 . . . . 25.0 111.144 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.4 10.91 27.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.667 -1.606 . . . . 50.0 111.769 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.83 32.12 6.79 Favored Glycine 0 C--N 1.317 -0.494 0 CA-C-N 114.246 -1.343 . . . . 25.0 112.702 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 133.18 64.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.874 0.337 . . . . 25.0 110.112 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 102.26 47.07 1.48 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 116.034 1.174 . . . . 25.0 116.034 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.04 -55.36 33.85 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.052 0.39 . . . . 50.0 112.052 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp 61.98 132.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.277 1.431 . . . . 50.0 114.541 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 p -77.17 78.45 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.566 -0.709 . . . . 25.0 110.018 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.29 31.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.366 1.066 . . . . 25.0 111.895 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.7 166.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 123.989 0.916 . . . . 50.0 108.74 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 50.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 50.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 50.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 50.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 50.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 50.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 50.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 50.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 50.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 50.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.27 -35.34 77.03 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 50.0 110.642 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.95 -27.49 43.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.694 0.998 . . . . 50.0 113.694 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.17 -28.95 69.76 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.203 1.001 . . . . 50.0 108.757 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -76.81 1.78 16.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.101 -1.409 . . . . 50.0 111.946 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.15 -4.7 65.74 Favored Glycine 0 C--O 1.224 -0.505 0 O-C-N 122.055 -0.403 . . . . 25.0 113.294 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.01 14.45 63.49 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 121.376 -0.44 . . . . 25.0 113.688 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.82 -6.56 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 122.058 0.933 . . . . 50.0 112.59 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.14 50.08 1.87 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.422 -1.263 . . . . 25.0 110.695 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.212 -0.909 0 CA-C-O 123.527 1.632 . . . . 25.0 111.411 -178.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtm . . . . . 0 N--CA 1.504 2.262 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.42 -30.33 70.5 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.36 -1.462 . . . . 50.0 112.863 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -63.15 -24.47 67.9 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 111.972 0.36 . . . . 50.0 111.972 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -83.19 -37.82 23.14 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.994 -0.441 . . . . 50.0 110.43 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 50.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 50.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 50.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 50.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 50.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 50.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 50.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 50.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 50.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 50.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 50.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 50.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 50.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 50.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 50.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 50.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 50.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 50.0 110.857 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 50.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 50.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 50.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 50.0 110.833 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 50.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 50.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 50.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 50.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 50.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.33 -41.6 97.29 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -65.52 -33.08 75.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.241 -0.287 . . . . 50.0 111.396 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.92 -46.04 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.949 -0.47 . . . . 50.0 111.201 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.8 -28.24 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.939 -0.704 . . . . 50.0 109.795 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.94 -40.8 87.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.214 -0.448 . . . . 50.0 110.386 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.036 0.446 . . . . 50.0 110.425 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.114 -0.366 . . . . 25.0 110.921 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.21 -34.33 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.064 -0.397 . . . . 50.0 111.271 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.84 -31.34 71.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.398 0.142 . . . . 25.0 111.108 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.74 -39.85 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 25.0 110.437 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.78 -61.08 1.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.36 0.504 . . . . 50.0 112.36 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 49.69 41.3 21.67 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.785 1.031 . . . . 50.0 113.785 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -124.2 21.04 8.9 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.728 0.411 . . . . 50.0 109.952 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 53.21 54.03 10.92 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.981 1.372 . . . . 50.0 109.678 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 . . . . . 0 C--O 1.215 -0.741 0 CA-C-O 124.708 2.194 . . . . 25.0 112.217 -176.368 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 123.34 1.522 . . . . 25.0 116.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.57 -34.2 23.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.149 -1.207 . . . . 25.0 110.404 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.9 ptm -162.12 173.58 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.22 167.86 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.94 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.041 0.448 . . . . 25.0 110.718 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.43 142.09 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.104 -1.813 . . . . 25.0 106.104 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.11 80.37 5.46 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.504 0.192 . . . . 50.0 110.711 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.9 m 49.06 42.67 21.4 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 tp -133.61 105.99 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 25.0 111.176 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.54 24.08 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 25.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.6 t 55.43 27.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-O 122.511 1.148 . . . . 25.0 111.156 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.24 85.48 2.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.627 -1.169 . . . . 25.0 108.559 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.7 mtp -81.63 38.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.989 0.424 . . . . 50.0 111.987 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.66 45.53 3.09 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-O 119.4 -0.666 . . . . 25.0 111.986 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t0 55.09 44.66 27.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.52 1.152 . . . . 50.0 111.522 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 26.2 p -87.33 14.78 7.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.323 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.87 116.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 t -123.21 90.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.492 0.663 . . . . 25.0 110.447 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -78.91 -28.06 0.55 Allowed Pre-proline 0 CA--C 1.56 1.327 0 N-CA-C 116.96 2.208 . . . . 25.0 116.96 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.05 54.73 5.14 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 115.461 -2.559 . . . . 25.0 114.45 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.88 78.89 3.1 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 122.944 0.497 . . . . 25.0 110.688 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -72.01 134.08 22.73 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 116.424 -1.918 . . . . 50.0 113.483 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.84 160.45 40.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.92 -45.59 0.01 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 N-CA-C 118.19 2.663 . . . . 50.0 118.19 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.9 -13.18 16.03 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.744 -3.037 . . . . 25.0 114.307 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 141.01 58.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.648 0.261 . . . . 25.0 111.057 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 54.5 m -135.98 125.74 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -122.17 98.4 44.49 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 121.241 0.543 . . . . 50.0 111.855 -172.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.82 136.6 15.21 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 117.211 -1.393 . . . . 50.0 114.089 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -77.12 -6.83 54.35 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.359 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.3 m 59.89 -163.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 25.0 112.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -173.94 177.86 46.04 Favored Glycine 0 C--O 1.236 0.221 0 N-CA-C 109.966 -1.254 . . . . 50.0 109.966 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.92 156.28 43.33 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.375 1.588 . . . . 50.0 113.419 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.9 153.55 47.67 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 118.159 -0.761 . . . . 50.0 111.884 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.57 -61.15 1.32 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.729 -0.748 . . . . 25.0 113.672 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 57.43 -159.8 0.25 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.085 0.554 . . . . 25.0 111.122 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -100.67 147.87 25.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.8 176.34 39.38 Favored Glycine 0 CA--C 1.518 0.228 0 N-CA-C 112.028 -0.429 . . . . 25.0 112.028 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -111.65 157.24 15.08 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 116.976 0.388 . . . . 25.0 113.321 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 41.6 m -86.31 88.6 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 25.0 110.67 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 43.1 tp -120.78 79.11 1.45 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.1 159.75 43.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.697 -1.138 . . . . 50.0 109.42 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 69.9 m -156.37 163.34 39.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 27.5 m -98.17 160.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.38 126.49 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.164 -1.05 . . . . 50.0 108.164 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.0 t -123.77 -0.88 8.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.55 0.69 . . . . 25.0 111.028 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.81 35.06 5.88 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.918 1.451 . . . . 50.0 114.918 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.9 -15.58 77.13 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.0 -0.619 . . . . 25.0 113.898 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.51 151.8 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.59 91.1 0.78 Allowed Glycine 0 C--O 1.225 -0.426 0 N-CA-C 109.94 -1.264 . . . . 25.0 109.94 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -69.47 148.1 49.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.2 1.0 . . . . 50.0 112.815 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.46 132.19 42.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.062 -0.972 . . . . 50.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' SER . . . . . 0.409 ' C ' ' H ' ' B' ' 155' ' ' ILE . 43.1 m 55.24 57.94 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 116.01 1.856 . . . . 25.0 116.01 174.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 p -82.45 41.53 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-O 123.182 1.468 . . . . 25.0 108.489 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . 0.409 ' H ' ' C ' ' B' ' 153' ' ' SER . 20.3 pt -142.82 175.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.474 -1.239 . . . . 50.0 109.246 -173.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 50.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 50.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 50.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 50.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 50.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 50.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 50.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 50.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.93 -41.24 82.33 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 50.0 110.936 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.57 -33.43 47.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 116.002 1.853 . . . . 50.0 116.002 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.73 -19.53 63.54 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.763 0.71 . . . . 50.0 109.446 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.19 -14.83 59.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 50.0 112.118 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.06 -172.39 49.49 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.348 -0.701 . . . . 25.0 111.348 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.78 4.84 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 117.178 1.631 . . . . 25.0 117.178 -175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.1 -4.48 9.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 118.315 1.057 . . . . 50.0 111.082 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.94 84.04 2.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.784 -1.098 . . . . 25.0 108.254 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 126.313 2.958 . . . . 25.0 112.092 -176.081 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 125.336 2.493 . . . . 25.0 113.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.81 150.1 49.62 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 120.363 -1.46 . . . . 50.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -56.25 -30.01 61.82 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.04 -33.25 64.78 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.172 0.442 . . . . 50.0 111.025 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 50.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 50.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 50.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 50.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 50.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 50.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 50.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 50.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 50.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 50.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 50.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 50.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 50.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 50.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 50.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 50.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 50.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 50.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 50.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 50.0 110.791 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 50.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 50.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 50.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 50.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 50.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 50.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 50.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 50.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 50.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 50.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 50.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 50.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 50.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.71 -39.17 90.55 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -67.57 -30.79 70.51 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.033 -0.417 . . . . 50.0 112.031 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.19 -48.7 53.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.654 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.11 -27.46 65.61 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 121.721 -0.612 . . . . 50.0 109.525 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.4 -40.82 85.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.403 -0.362 . . . . 50.0 110.202 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.08 85.46 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -70.22 -32.41 70.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.114 -0.366 . . . . 50.0 111.153 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.31 -41.84 93.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.195 -0.668 . . . . 25.0 109.195 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.35 -34.6 78.33 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.842 -0.343 . . . . 50.0 110.638 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -19.65 63.44 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -41.8 20.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -49.72 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 51.96 29.94 6.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 114.672 1.36 . . . . 50.0 114.672 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -132.65 28.47 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.582 0.706 . . . . 50.0 109.802 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -131.66 112.27 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.716 -1.587 . . . . 50.0 106.716 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 . . . . . 0 C--O 1.217 -0.636 0 CA-C-O 124.287 1.994 . . . . 25.0 110.47 -176.865 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.21 1.45 . . . . 25.0 115.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.48 154.12 50.85 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.97 157.26 28.53 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 t 66.99 160.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 124.804 1.315 . . . . 25.0 110.363 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 50.68 35.01 10.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.84 32.79 4.47 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.134 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -156.33 158.87 38.18 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 64.6 p -120.75 175.7 5.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 57.9 tp -131.8 142.85 49.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -129.33 122.02 28.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.6 m -143.06 144.63 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.35 154.33 20.48 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.6 mtm -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.595 -1.631 . . . . 50.0 106.595 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.95 154.01 49.25 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.224 -0.989 . . . . 25.0 110.701 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -135.85 102.41 5.05 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.321 -1.363 . . . . 50.0 107.321 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 71.7 p -97.98 11.91 35.96 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.894 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.55 156.38 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.77 94.73 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.271 11.3 mm-40 86.33 -29.52 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.992 1 N-CA-C 122.856 4.391 . . . . 25.0 122.856 177.322 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.29 78.22 3.8 Favored 'Trans proline' 0 CA--C 1.549 1.26 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.197 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.6 154.8 81.95 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.058 0.543 . . . . 25.0 111.026 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.37 158.85 44.19 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 118.177 -0.749 . . . . 50.0 111.757 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.01 176.9 5.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.106 1.15 . . . . 50.0 114.106 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -23.87 -52.27 0.12 Allowed Pre-proline 0 N--CA 1.486 1.337 1 N-CA-C 122.934 4.42 . . . . 50.0 122.934 -171.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.85 -33.42 12.47 Favored 'Trans proline' 0 C--N 1.358 1.069 1 C-N-CA 112.755 -4.363 . . . . 25.0 115.818 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 40.3 27.88 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 119.097 2.999 . . . . 25.0 119.097 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 56.8 p -159.66 157.58 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.42 -0.8 . . . . 25.0 111.987 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -131.24 78.29 72.73 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 123.554 0.741 . . . . 50.0 109.778 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.61 144.64 28.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 N-CA-C 115.376 1.26 . . . . 50.0 115.376 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -131.7 22.49 4.65 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -74.33 153.63 39.23 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.567 -0.708 . . . . 25.0 112.714 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.88 174.74 40.86 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.026 -0.83 . . . . 50.0 111.026 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.78 157.71 31.52 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 121.984 1.789 . . . . 50.0 114.532 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.64 160.27 38.22 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 118.123 -0.784 . . . . 50.0 111.581 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -102.68 150.32 17.91 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 121.148 -0.548 . . . . 25.0 113.411 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 49.62 40.18 19.01 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -74.43 132.7 42.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.769 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.08 -140.83 17.22 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.297 -0.478 . . . . 25.0 112.136 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.58 0.63 87.95 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 115.511 0.964 . . . . 25.0 115.511 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -132.45 105.19 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.59 1.195 . . . . 25.0 111.267 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -147.82 85.22 1.55 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.96 147.07 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.231 -0.293 . . . . 50.0 111.048 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.5 m -161.59 160.35 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 129.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.36 133.98 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 68.4 p -101.84 -27.06 13.22 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 41.77 37.69 0.82 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.793 -1.549 . . . . 50.0 113.96 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.74 67.92 0.5 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.979 -0.848 . . . . 25.0 110.979 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.29 136.32 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.093 0.473 . . . . 25.0 111.93 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.07 36.09 0.16 Allowed Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.528 0.515 . . . . 25.0 112.839 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -92.93 162.98 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 115.514 1.672 . . . . 50.0 115.514 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tp -86.0 160.03 19.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.02 -0.991 . . . . 50.0 110.604 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 71.7 m -81.15 91.64 6.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.605 0.717 . . . . 25.0 110.743 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.84 4.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.526 1.13 . . . . 25.0 111.605 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt -122.98 166.18 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.099 0.56 . . . . 50.0 109.961 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 50.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 50.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 50.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 50.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 50.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 50.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 50.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 50.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 50.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -71.15 -42.78 68.69 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -28.89 61.48 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.533 1.309 . . . . 50.0 114.533 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -17.74 64.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.287 -0.883 . . . . 50.0 109.97 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -78.63 -11.5 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.006 -0.543 . . . . 50.0 112.1 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 124.0 174.4 14.13 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 109.811 -1.315 . . . . 25.0 109.811 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -105.3 -58.74 0.65 Allowed Glycine 0 C--O 1.226 -0.39 0 N-CA-C 114.932 0.733 . . . . 25.0 114.932 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 36.0 m -110.26 8.31 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 113.117 0.784 . . . . 50.0 113.117 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.11 75.96 8.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.438 0.637 . . . . 25.0 109.822 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.2 -1.502 0 CA-C-O 124.17 1.938 . . . . 25.0 113.603 -177.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 124.164 1.935 . . . . 25.0 114.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -83.44 6.38 20.41 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 120.447 -1.408 . . . . 50.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.55 -27.61 50.0 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -61.03 -33.32 73.09 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.65 -0.656 . . . . 50.0 111.635 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 50.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 50.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 50.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 50.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 50.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 50.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 50.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 50.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 50.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 50.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 50.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 50.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 50.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 50.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 50.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 50.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 50.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 50.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 50.0 110.903 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 50.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 50.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 50.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 50.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 50.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 50.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 50.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 50.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 50.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 50.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 50.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.69 -43.67 93.95 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -34.78 78.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.225 0.466 . . . . 50.0 111.9 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.07 -50.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.102 0.41 . . . . 50.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.6 -29.71 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.133 0.492 . . . . 50.0 110.433 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.43 -45.28 73.0 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 115.879 -0.601 . . . . 50.0 109.471 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.21 75.49 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.962 -0.295 . . . . 25.0 110.475 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.6 -40.04 88.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.884 0.373 . . . . 50.0 110.727 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -60.56 -42.68 97.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.346 . . . . 25.0 110.546 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.65 -35.53 70.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.232 -0.293 . . . . 50.0 111.206 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 25.0 110.639 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.39 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.526 -0.306 . . . . 25.0 111.39 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.98 -56.0 2.62 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.599 0.963 . . . . 50.0 113.599 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 49.49 28.84 2.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.355 1.062 . . . . 50.0 112.921 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -123.14 51.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.483 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 48.17 49.59 17.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.978 1.37 . . . . 50.0 111.333 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.211 -0.948 0 CA-C-O 122.965 1.364 . . . . 25.0 112.148 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 122.447 1.026 . . . . 25.0 115.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.91 -28.82 67.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.837 -0.802 . . . . 25.0 112.393 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.83 179.32 0.18 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.131 0.894 . . . . 25.0 110.272 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 t 66.72 140.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 114.794 1.405 . . . . 25.0 114.794 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 51.92 20.76 1.29 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.053 2.612 . . . . 25.0 118.053 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.99 12.6 2.12 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.004 1.112 . . . . 25.0 114.004 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -150.14 167.73 26.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.017 0.527 . . . . 50.0 109.907 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 14.5 m 62.41 22.72 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -89.14 12.43 15.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.471 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.88 111.4 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.132 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.13 118.43 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 176.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.26 36.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.985 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.0 mtt -138.99 169.26 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.613 -0.884 . . . . 50.0 108.613 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.16 -147.99 23.5 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.58 -1.008 . . . . 25.0 110.58 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.0 t0 56.25 65.22 1.48 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.694 1.235 . . . . 50.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 76.1 p -93.39 28.67 2.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.914 -1.039 . . . . 25.0 112.852 -175.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -125.4 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 25.0 110.255 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.95 88.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 25.0 109.365 -178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.74 -44.88 99.77 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 114.932 1.456 . . . . 25.0 114.932 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.8 22.84 0.76 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 115.817 -2.322 . . . . 25.0 116.283 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.63 117.26 57.35 Favored Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.625 -0.672 . . . . 25.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.74 146.47 60.41 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 115.808 -2.328 . . . . 50.0 110.448 173.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.92 175.61 11.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.599 0.592 . . . . 50.0 112.599 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.293 1.4 pttp 92.77 -32.15 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.351 0 N-CA-C 120.919 3.674 . . . . 50.0 120.919 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.31 130.76 14.37 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 110.821 -5.653 . . . . 25.0 111.436 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 64.2 p -142.08 170.78 15.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 116.86 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.921 -1.511 . . . . 25.0 106.921 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -138.96 111.92 8.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.512 . . . . 50.0 109.619 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.52 132.68 15.01 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 116.363 -1.958 . . . . 50.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.2 p -131.3 143.74 50.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 m -163.15 172.43 14.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.74 159.07 29.0 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 109.468 -1.453 . . . . 50.0 109.468 174.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.12 150.17 25.94 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.271 1.536 . . . . 50.0 113.389 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.82 161.56 30.26 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 118.024 -0.851 . . . . 50.0 111.977 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.74 158.22 23.2 Favored Glycine 0 C--O 1.228 -0.28 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -164.19 172.45 13.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -149.17 158.07 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.32 -163.88 32.2 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 110.093 -1.203 . . . . 25.0 110.093 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.58 -148.9 29.67 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.046 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 m 55.47 37.82 29.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.1 tp -133.33 83.04 2.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -155.22 158.55 39.05 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -156.95 158.54 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.07 136.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.0 mm -85.15 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.367 -1.346 . . . . 50.0 107.367 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -155.63 126.93 7.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.119 -2.919 . . . . 25.0 103.119 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -133.07 11.73 4.25 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 112.924 -1.943 . . . . 50.0 109.967 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -108.37 52.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.105 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.57 129.62 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 25.0 111.048 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.22 -117.47 1.17 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 103.541 -3.823 . . . . 25.0 103.541 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -103.13 157.32 17.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.847 0.356 . . . . 50.0 111.598 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -152.95 133.07 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.837 -0.431 . . . . 50.0 109.837 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.2 p -85.43 66.93 9.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.355 0.598 . . . . 25.0 110.21 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.75 16.69 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 122.127 0.965 . . . . 25.0 109.753 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt -140.03 165.54 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.34 -0.845 . . . . 50.0 110.954 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 50.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 50.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 50.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 50.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 50.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 50.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 50.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 50.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 50.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 50.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -63.21 -35.44 80.31 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 50.0 110.265 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.82 -39.5 35.37 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.2 -17.35 64.3 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.408 0.549 . . . . 50.0 109.895 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -73.46 7.65 2.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.51 -0.768 . . . . 50.0 112.371 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.26 26.43 70.49 Favored Glycine 0 C--O 1.224 -0.492 0 C-N-CA 121.174 -0.536 . . . . 25.0 113.622 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.64 41.33 2.73 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.527 -0.844 . . . . 25.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 57.6 51.77 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 121.694 0.759 . . . . 50.0 112.161 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.43 89.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.372 1.082 . . . . 25.0 111.013 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.208 -1.11 0 CA-C-O 124.548 2.118 . . . . 25.0 112.458 174.104 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 123.766 1.746 . . . . 25.0 114.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -140.92 137.28 33.02 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 120.306 -1.496 . . . . 50.0 110.675 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -58.72 -32.08 68.87 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.304 0.573 . . . . 50.0 110.787 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -55.09 -33.32 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 50.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 50.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 50.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 50.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 50.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 50.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 50.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 50.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 50.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 50.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 50.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 50.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 50.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 50.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 50.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 50.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 50.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 50.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 50.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 50.0 110.65 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 50.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 50.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 50.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 50.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 50.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 50.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 50.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 50.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 50.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 50.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 50.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 50.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 50.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 50.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -59.7 -41.68 91.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -69.44 -31.65 70.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.726 0.269 . . . . 50.0 111.726 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -73.0 -48.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 121.948 -0.47 . . . . 50.0 111.379 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.54 -29.18 69.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.355 0.598 . . . . 50.0 109.632 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -68.96 -43.82 74.21 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.889 -0.596 . . . . 50.0 110.833 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.43 96.82 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.42 -40.64 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 50.0 109.957 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.9 -43.85 86.98 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.26 -38.31 90.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.29 -0.256 . . . . 50.0 110.694 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.32 -28.3 66.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.616 0.228 . . . . 25.0 111.616 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.82 50.14 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.86 0.362 . . . . 25.0 110.367 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.62 -55.73 3.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.589 0.588 . . . . 50.0 112.589 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 48.68 33.41 4.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.11 0.964 . . . . 50.0 112.008 -175.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -123.62 31.92 5.76 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.823 0.675 . . . . 50.0 112.823 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 55.11 45.53 25.93 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.923 1.344 . . . . 50.0 109.784 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 124.489 2.09 . . . . 25.0 110.805 -177.668 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.056 0 CA-C-O 123.559 1.644 . . . . 25.0 113.737 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.41 179.31 0.17 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 111.59 -2.305 . . . . 25.0 111.655 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.52 173.89 15.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.11 145.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 175.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.7 46.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.569 0.699 . . . . 25.0 111.353 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.69 61.26 1.81 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.861 -0.608 . . . . 25.0 110.616 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -140.96 27.2 2.0 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.957 0.503 . . . . 50.0 111.198 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -114.29 25.71 10.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.2 mt -124.95 109.99 13.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.252 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.19 129.22 9.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.74 114.43 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.13 18.47 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.928 0.394 . . . . 25.0 111.106 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 64.8 mtm 55.91 27.38 11.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.001 1.482 . . . . 50.0 115.001 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.52 163.63 35.71 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -135.95 -54.52 0.76 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.441 -0.578 . . . . 50.0 109.441 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.3 p 44.68 41.36 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.34 128.14 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.38 152.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.56 4.42 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.438 1 N-CA-C 122.275 4.176 . . . . 25.0 122.275 176.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -68.39 132.64 26.12 Favored 'Trans proline' 0 C--N 1.363 1.298 1 C-N-CA 110.649 -5.767 . . . . 25.0 112.987 174.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.75 130.99 74.65 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.057 -0.402 . . . . 25.0 110.326 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.69 159.25 28.28 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 116.366 -1.956 . . . . 50.0 113.217 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 49.7 mt 71.19 153.21 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.836 1.791 . . . . 50.0 115.836 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.31 12.8 pttt 92.86 -37.02 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 N-CA-C 120.625 3.565 . . . . 50.0 120.625 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.85 128.72 12.68 Favored 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 111.454 -5.231 . . . . 25.0 112.115 177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 7.4 p -148.09 11.2 0.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.444 0.64 . . . . 25.0 111.052 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.8 p -89.71 59.81 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.991 1.108 . . . . 25.0 113.991 -171.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.33 80.96 37.5 Favored Pre-proline 0 CA--C 1.546 0.825 0 CA-C-O 121.633 0.73 . . . . 50.0 111.427 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.22 146.47 19.91 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 115.205 1.194 . . . . 50.0 115.205 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.1 p 58.74 -174.14 0.09 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.689 1.196 . . . . 25.0 114.194 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -120.58 16.75 12.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 25.0 111.391 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.27 -175.19 55.16 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-N 115.785 -0.643 . . . . 50.0 113.633 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.14 161.43 29.36 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.623 1.549 . . . . 50.0 112.679 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 143.64 50.43 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 116.326 -1.983 . . . . 50.0 112.586 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.66 1.96 79.51 Favored Glycine 0 C--O 1.227 -0.34 0 C-N-CA 121.147 -0.549 . . . . 25.0 114.239 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.74 94.85 5.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.24 0.52 . . . . 25.0 111.039 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -134.46 148.51 50.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.38 -132.58 13.49 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.741 -0.742 . . . . 25.0 111.605 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.22 -26.69 20.04 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 116.226 1.25 . . . . 25.0 116.226 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 34.9 t -144.78 118.63 9.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.258 1.029 . . . . 25.0 110.826 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.26 24.49 6.29 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.83 -1.544 . . . . 50.0 106.83 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.57 140.46 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 50.0 112.264 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p -154.04 154.04 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.191 -1.781 . . . . 25.0 106.191 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.1 135.7 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mm -99.63 120.19 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.0 t -127.14 -3.35 6.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.224 1.011 . . . . 25.0 111.947 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 29.67 0.6 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.109 -1.405 . . . . 50.0 112.735 -176.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.13 37.17 3.95 Favored Glycine 0 N--CA 1.459 0.232 0 N-CA-C 114.651 0.62 . . . . 25.0 114.651 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.01 133.19 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 117.64 0.72 . . . . 25.0 109.788 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.77 86.93 0.32 Allowed Glycine 0 C--O 1.222 -0.609 0 N-CA-C 114.395 0.518 . . . . 25.0 114.395 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -64.54 -56.73 12.12 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.084 0.945 . . . . 50.0 112.029 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.96 -171.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.025 -1.898 . . . . 50.0 110.439 -176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.7 p -134.41 97.1 3.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.331 0.586 . . . . 25.0 110.68 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.45 16.75 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 122.309 1.052 . . . . 25.0 109.414 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -137.01 167.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.41 -0.814 . . . . 50.0 110.972 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 50.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 50.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 50.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 50.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 50.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 50.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 50.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 50.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 50.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -66.39 -30.58 70.99 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 50.0 109.602 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -30.99 50.19 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.96 -27.97 69.76 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.112 0.958 . . . . 50.0 109.272 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -75.62 -34.83 60.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.523 -1.217 . . . . 50.0 111.703 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 54.45 23.56 27.62 Favored Glycine 0 C--O 1.219 -0.781 0 N-CA-C 116.121 1.209 . . . . 25.0 116.121 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -96.05 -27.24 10.38 Favored Glycine 0 C--O 1.215 -1.082 0 C-N-CA 120.595 -0.812 . . . . 25.0 114.428 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 45.4 52.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 121.628 0.728 . . . . 50.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.48 45.67 16.18 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 125.501 2.572 . . . . 25.0 111.288 173.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.51 2.555 0 N-CA-C 116.191 1.923 . . . . 25.0 116.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.41 120.14 29.05 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 120.739 -1.226 . . . . 50.0 111.875 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.89 -18.97 64.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.967 -0.56 . . . . 50.0 111.916 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.26 -36.01 29.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 50.0 112.314 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 50.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 50.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 50.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 50.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 50.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 50.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 50.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 50.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 50.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 50.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 50.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 50.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 50.0 110.61 -177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 50.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 50.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 50.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 50.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 50.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 50.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 50.0 110.731 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 50.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 50.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 50.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 50.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 50.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 50.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 50.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 50.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 50.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 50.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -57.14 -43.41 82.44 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -63.55 -33.61 75.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.106 0.41 . . . . 50.0 112.106 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 -47.95 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.883 0.373 . . . . 50.0 110.348 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -71.55 -28.38 63.82 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.249 -0.58 . . . . 50.0 110.407 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.4 -44.75 78.07 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.78 -43.89 81.33 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.28 -36.9 84.15 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.928 0.394 . . . . 50.0 110.876 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.75 -40.38 95.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.549 0.34 . . . . 25.0 110.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.75 -39.16 90.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.73 88.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.271 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.23 -40.27 71.18 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.695 0.283 . . . . 25.0 110.454 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.66 . . . . 50.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -83.97 2.8 37.12 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.479 1.659 . . . . 50.0 115.479 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -152.42 8.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.647 2.832 . . . . 50.0 118.647 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -136.2 112.69 9.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.168 0.985 . . . . 50.0 109.414 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 125.263 2.459 . . . . 25.0 111.368 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 CA-C-O 123.664 1.702 . . . . 25.0 116.344 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.29 73.32 5.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.257 -1.143 . . . . 25.0 111.823 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.0 mtt -72.99 140.54 47.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -150.79 155.37 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . 0.434 ' CD ' ' HE ' ' B' ' 107' ' ' ARG . 34.1 tt0 -124.87 134.4 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.93 65.94 1.11 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.434 ' HE ' ' CD ' ' B' ' 105' ' ' GLU . 95.0 mtt180 -65.4 -20.26 66.3 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.089 0.403 . . . . 50.0 112.089 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t 52.21 24.41 2.79 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.994 1.479 . . . . 25.0 114.994 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 56.3 mt 55.44 20.71 3.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.127 0.971 . . . . 25.0 113.592 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.56 62.39 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.534 0.683 . . . . 25.0 109.207 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.25 30.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.127 -0.942 . . . . 25.0 112.052 -171.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.28 136.17 52.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 43.6 tpp -93.4 -10.07 36.48 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.81 0.814 . . . . 50.0 112.602 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.61 25.86 57.77 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.447 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.46 -33.74 76.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.257 0.466 . . . . 50.0 112.257 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 66.8 p 46.7 38.81 6.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.2 105.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.2 t -126.18 110.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.406 -0.361 . . . . 25.0 110.29 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.276 3.6 tm-20 96.83 -65.94 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 117.694 2.479 . . . . 25.0 117.694 175.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.69 78.34 3.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 114.784 -3.01 . . . . 25.0 116.061 -173.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.72 71.01 18.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.383 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.83 142.73 48.4 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 115.906 -2.262 . . . . 50.0 113.588 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.76 146.91 47.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.326 -0.852 . . . . 50.0 108.927 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.33 -47.42 10.32 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.053 0.39 . . . . 50.0 112.053 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.06 152.34 51.05 Favored 'Trans proline' 0 C--N 1.357 1.006 1 C-N-CA 112.402 -4.599 . . . . 25.0 110.793 173.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 47.3 p -90.19 3.17 54.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.152 0.501 . . . . 25.0 110.816 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.3 m -87.32 122.0 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.123 -0.489 . . . . 25.0 110.178 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.02 124.74 88.57 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.545 -0.298 . . . . 50.0 110.483 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.11 130.55 10.33 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 117.084 -1.477 . . . . 50.0 113.777 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.4 t -78.72 -10.97 59.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.856 -0.527 . . . . 25.0 111.808 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 13.8 m 48.55 44.63 20.99 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.44 163.58 54.8 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.738 -0.744 . . . . 50.0 112.393 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.95 155.51 52.96 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 CA-C-N 118.648 1.224 . . . . 50.0 112.79 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -79.53 43.81 1.57 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 121.79 1.66 . . . . 50.0 113.589 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 97.38 -174.54 29.74 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.0 109.1 21.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.811 -0.229 . . . . 25.0 110.89 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 64.77 167.44 0.17 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.763 1.225 . . . . 25.0 113.934 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.89 47.82 0.96 Allowed Glycine 0 C--O 1.219 -0.794 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.069 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.7 41.74 3.53 Favored Glycine 0 C--O 1.223 -0.564 0 C-N-CA 120.816 -0.707 . . . . 25.0 114.17 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.3 m -76.9 52.72 0.87 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.79 67.72 1.16 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.796 -1.187 . . . . 50.0 107.796 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.2 mt -135.18 165.56 25.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 50.0 110.801 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.3 p -145.73 159.83 42.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.021 -2.585 . . . . 25.0 104.021 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.2 t -130.74 134.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 4.2 mt -76.46 128.82 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.978 -1.49 . . . . 50.0 106.978 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -115.49 -5.0 12.24 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 44.58 34.8 1.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.065 1.506 . . . . 50.0 115.065 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.24 9.63 69.31 Favored Glycine 0 N--CA 1.459 0.233 0 N-CA-C 114.898 0.719 . . . . 25.0 114.898 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.7 t -138.75 135.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.21 -104.54 1.5 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 110.295 -1.122 . . . . 25.0 110.295 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.54 169.76 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.718 0.407 . . . . 50.0 110.099 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 58.3 tp -74.25 137.26 42.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 27.8 p -78.95 64.43 3.89 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.636 -0.875 . . . . 25.0 108.636 173.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.32 -0.47 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.988 . . . . 25.0 113.225 -173.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.1 170.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 122.046 -0.409 . . . . 50.0 111.652 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 50.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 50.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 50.0 107.328 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 50.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 50.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 50.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 50.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 50.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 50.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.15 -36.38 77.4 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 50.0 110.724 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 51.7 mt -75.22 -35.82 61.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.985 1.476 . . . . 50.0 114.985 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.65 -25.14 67.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.758 0.708 . . . . 50.0 109.648 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.15 -28.81 70.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.532 -0.758 . . . . 50.0 111.462 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -63.07 -11.91 40.97 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.456 -0.402 . . . . 25.0 113.895 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.82 -57.9 9.11 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.957 -0.64 . . . . 25.0 112.669 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.9 0.07 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 116.276 1.954 . . . . 50.0 116.276 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -97.94 72.86 2.24 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.182 0.991 . . . . 25.0 109.529 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.21 -0.974 0 CA-C-O 124.378 2.037 . . . . 25.0 112.264 -178.4 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 125.23 2.443 . . . . 25.0 114.065 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.84 -27.99 69.71 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 119.566 -1.959 . . . . 50.0 110.612 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.59 -37.32 75.54 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.717 -0.674 . . . . 50.0 110.382 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -80.36 -35.49 35.38 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 50.0 111.735 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 50.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 50.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 50.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 50.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 50.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 50.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 50.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 50.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 50.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 50.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 50.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 50.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 50.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 50.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 50.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 50.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 50.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 50.0 111.164 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 50.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 50.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 50.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 50.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 50.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 50.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 50.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 50.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 50.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 50.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 50.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 50.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -59.4 -38.55 80.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.91 -32.59 70.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.006 -0.434 . . . . 50.0 111.625 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.82 -45.04 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 121.961 -0.462 . . . . 50.0 111.104 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.65 -29.48 68.79 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.939 -0.704 . . . . 50.0 109.39 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.0 tp -68.31 -39.21 82.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.441 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.85 97.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.38 -37.24 77.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 50.0 110.71 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -66.35 -35.5 80.5 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.021 -0.424 . . . . 50.0 111.044 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.19 -39.98 31.98 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.112 0.482 . . . . 25.0 110.497 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.48 -51.83 15.76 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.128 0.788 . . . . 50.0 113.128 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 50.29 23.52 1.24 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.129 1.529 . . . . 50.0 115.129 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -123.15 3.11 9.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.083 1.512 . . . . 50.0 115.083 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -126.01 91.41 3.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.188 0.994 . . . . 50.0 110.174 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.215 -0.737 0 CA-C-O 124.837 2.256 . . . . 25.0 110.758 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 CA-C-O 122.626 1.125 . . . . 25.0 115.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.15 33.79 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.17 163.56 31.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.31 155.88 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -144.85 131.41 19.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.53 65.97 8.05 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -75.85 42.58 0.24 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.61 0.967 . . . . 50.0 113.61 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -91.46 132.63 36.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -124.75 131.32 53.46 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.77 43.55 0.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.777 0.322 . . . . 25.0 111.74 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.01 114.35 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.917 0.865 . . . . 25.0 109.252 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.63 163.65 29.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 73.6 mtm -120.03 7.91 10.93 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 111.969 0.359 . . . . 50.0 111.969 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.43 71.7 Favored Glycine 0 C--O 1.216 -0.983 0 N-CA-C 115.883 1.113 . . . . 25.0 115.883 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -77.46 -57.34 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.118 0.961 . . . . 50.0 113.216 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 80.6 p -128.28 20.23 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.272 1.034 . . . . 25.0 109.903 -171.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.58 133.97 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.252 -1.34 . . . . 25.0 111.846 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -126.02 115.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 103.09 -2.93 . . . . 25.0 103.09 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -54.99 -52.08 74.0 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.964 1.839 . . . . 25.0 115.964 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.53 -40.9 3.69 Favored 'Trans proline' 0 C--N 1.354 0.851 1 C-N-CA 112.976 -4.216 . . . . 25.0 114.665 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.89 136.62 0.49 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 123.777 0.831 . . . . 25.0 108.893 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.53 139.43 31.33 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 115.472 -2.552 . . . . 50.0 109.095 166.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.0 mt -140.9 165.28 27.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.947 0.721 . . . . 50.0 112.947 -173.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.316 0.9 OUTLIER 96.69 -35.69 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 121.316 3.821 . . . . 50.0 121.316 172.21 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.75 98.89 1.16 Allowed 'Trans proline' 0 C--N 1.357 1.009 1 C-N-CA 112.828 -4.315 . . . . 25.0 113.411 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.6 t -156.25 176.14 13.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.0 p -150.68 69.75 0.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 25.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -111.72 89.61 11.39 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.61 147.02 35.15 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 116.49 -1.873 . . . . 50.0 112.488 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 60.5 p -125.79 9.77 7.64 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 32.9 t -79.84 147.46 31.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.248 -0.283 . . . . 25.0 110.257 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.45 174.84 43.2 Favored Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.98 -0.848 . . . . 50.0 110.98 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.54 161.07 40.54 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 119.007 1.403 . . . . 50.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.6 131.39 22.82 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 116.394 -1.937 . . . . 50.0 112.208 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -101.5 20.51 46.33 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.4 t30 50.63 52.3 15.16 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 117.506 0.653 . . . . 25.0 112.04 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -57.81 132.39 53.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.986 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.18 155.15 24.98 Favored Glycine 0 C--O 1.228 -0.243 0 C-N-CA 121.182 -0.532 . . . . 25.0 112.985 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.36 67.3 3.73 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 114.35 0.5 . . . . 25.0 114.35 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m 52.72 51.29 16.29 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.15 47.29 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.382 0.61 . . . . 50.0 112.365 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.54 137.71 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.863 -0.523 . . . . 50.0 109.959 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 79.2 p -158.81 161.47 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 148.87 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 104.708 -2.33 . . . . 25.0 104.708 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.82 119.19 37.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.641 -1.244 . . . . 50.0 107.641 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -131.36 -3.0 3.86 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.336 0.588 . . . . 25.0 111.46 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 50.26 21.07 0.73 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.831 1.789 . . . . 50.0 115.831 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.99 15.8 36.07 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 116.547 1.379 . . . . 25.0 116.547 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.21 124.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 117.278 0.539 . . . . 25.0 109.774 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.52 45.9 7.68 Favored Glycine 0 C--O 1.218 -0.856 0 N-CA-C 117.242 1.657 . . . . 25.0 117.242 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.52 -61.92 1.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.8 tp 63.72 142.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.069 1.877 . . . . 50.0 116.069 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.5 m -114.58 80.6 1.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.483 -0.761 . . . . 25.0 110.94 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.1 9.74 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 122.508 1.147 . . . . 25.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt -131.31 167.39 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.785 -1.098 . . . . 50.0 109.11 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 50.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 50.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 50.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 50.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 50.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 50.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 50.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 50.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 50.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.9 -42.18 99.69 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 50.0 110.182 176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.15 -31.13 49.57 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 115.508 1.67 . . . . 50.0 115.508 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.03 -17.54 62.02 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.665 -0.814 . . . . 50.0 109.606 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -74.05 -20.16 60.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 50.0 111.222 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.79 -156.74 21.23 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.799 -1.32 . . . . 25.0 109.799 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.97 -28.95 48.53 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 120.5 -0.857 . . . . 25.0 112.218 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 46.81 35.75 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.114 0.966 . . . . 50.0 113.581 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -139.42 123.02 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 125.253 2.454 . . . . 25.0 111.793 -179.588 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 61.29 10.08 2.87 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.703 1.601 . . . . 50.0 112.574 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.01 -43.41 70.05 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.028 1.492 . . . . 50.0 115.028 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.64 -35.55 74.61 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.186 -0.946 . . . . 50.0 112.431 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 50.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 50.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 50.0 109.719 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 50.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 50.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 50.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 50.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 50.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 50.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 50.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 50.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 50.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 50.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 50.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 50.0 111.226 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 50.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 50.0 110.46 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 50.0 110.095 177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 50.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 50.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 50.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 50.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 50.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 50.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 50.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 50.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 50.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 50.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 50.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 50.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 50.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 50.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.01 -43.02 86.43 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -66.17 -30.84 71.39 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.8 -0.36 . . . . 50.0 111.441 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.75 -48.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.64 -0.663 . . . . 50.0 110.238 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.76 -27.8 66.22 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.298 -0.63 . . . . 50.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.64 -42.99 85.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.952 -0.388 . . . . 50.0 109.952 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.53 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -64.59 -39.33 93.54 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.906 0.384 . . . . 50.0 110.681 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.55 -38.2 88.91 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.218 -0.302 . . . . 25.0 110.743 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.67 -35.57 80.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.964 -0.384 . . . . 50.0 109.964 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.25 -23.6 62.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.09 25.79 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.58 -48.87 63.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 41.63 54.24 3.77 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.2 tttp 61.78 62.82 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.767 1.025 . . . . 50.0 113.767 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -119.43 125.21 48.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.202 -1.412 0 CA-C-O 125.647 2.642 . . . . 25.0 111.112 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.945 0 CA-C-O 123.863 1.813 . . . . 25.0 115.963 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.15 -22.72 35.97 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.473 -1.016 . . . . 25.0 111.551 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.25 -178.59 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.483 1.114 . . . . 25.0 112.316 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 175.83 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 109.071 -0.715 . . . . 25.0 109.071 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 63.49 20.37 12.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 174.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.87 66.54 4.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.107 -0.497 . . . . 25.0 109.909 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -139.11 132.13 29.52 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 121.705 -0.622 . . . . 50.0 111.962 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 78.4 p -154.97 169.23 24.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 mt -141.31 147.28 37.9 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 43.79 2.73 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.197 0.453 . . . . 25.0 110.733 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.5 t 67.07 107.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 124.744 1.218 . . . . 25.0 111.502 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.95 164.26 16.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.27 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.7 mtp 62.98 -155.98 0.33 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.221 1.009 . . . . 50.0 112.448 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.82 -133.04 11.24 Favored Glycine 0 C--O 1.229 -0.162 0 N-CA-C 107.482 -2.247 . . . . 25.0 107.482 -170.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.42 -15.87 63.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.758 0.779 . . . . 50.0 112.63 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p 46.84 42.73 12.44 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.228 1.195 . . . . 25.0 114.228 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.45 118.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -145.19 140.89 22.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 44.1 43.76 1.27 Allowed Pre-proline 0 CA--C 1.557 1.25 0 N-CA-C 118.415 2.746 . . . . 25.0 118.415 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -82.47 -5.61 11.77 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 114.447 -3.235 . . . . 25.0 112.706 174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.58 159.06 41.91 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.044 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -68.68 174.88 7.89 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 118.069 -0.82 . . . . 50.0 110.101 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.0 mt -22.71 103.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.229 1.937 . . . . 50.0 116.229 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -77.38 -37.56 1.69 Allowed Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 118.182 2.66 . . . . 50.0 118.182 -174.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.78 135.46 28.08 Favored 'Trans proline' 0 C--N 1.354 0.854 1 C-N-CA 112.361 -4.626 . . . . 25.0 116.171 -170.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 18.11 8.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.692 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t 57.32 43.1 24.0 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.347 0.594 . . . . 25.0 111.855 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.91 116.74 46.96 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 115.579 -0.737 . . . . 50.0 112.38 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.74 153.78 20.08 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.35 -1.967 . . . . 50.0 111.837 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -76.59 -21.89 54.98 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.502 -0.749 . . . . 25.0 111.983 175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 58.81 -167.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.308 1.005 . . . . 25.0 112.17 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 171.86 169.13 34.31 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 118.864 -0.965 . . . . 50.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.61 164.22 34.26 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 CA-C-N 119.089 1.445 . . . . 50.0 112.769 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -70.34 157.76 58.29 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 116.928 -1.581 . . . . 50.0 113.408 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -145.23 -169.0 13.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 109.704 -1.358 . . . . 25.0 109.704 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 53.0 t30 57.42 29.69 17.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.622 0.769 . . . . 25.0 112.38 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -104.66 -27.15 12.0 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.344 0.593 . . . . 25.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.76 172.35 46.99 Favored Glycine 0 C--O 1.218 -0.864 0 CA-C-N 115.617 -0.72 . . . . 25.0 113.541 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -172.18 35.0 0.14 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.2 m -123.61 53.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.026 0.441 . . . . 25.0 111.165 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 tp -129.67 58.66 1.63 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.855 -0.611 . . . . 50.0 110.169 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -146.9 161.12 41.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.591 -1.262 . . . . 50.0 107.591 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.6 p -152.96 159.54 42.95 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -77.09 138.98 19.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.1 128.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.149 -1.056 . . . . 50.0 108.149 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.3 t -123.13 -3.08 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.213 0.53 . . . . 25.0 112.079 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.92 24.33 0.84 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.842 2.164 . . . . 50.0 116.842 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.93 33.91 5.63 Favored Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.96 133.45 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.6 -102.82 0.96 Allowed Glycine 0 CA--C 1.505 -0.58 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -129.87 158.35 39.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.821 0.343 . . . . 50.0 111.421 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 48.2 tp -149.89 133.57 16.76 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.047 -1.094 . . . . 50.0 108.047 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.4 p -118.47 66.53 0.76 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.19 -2.9 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 122.382 1.087 . . . . 25.0 111.522 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 35.3 pt -95.19 167.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 123.303 0.641 . . . . 50.0 110.932 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 50.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 50.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 50.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 50.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 50.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 50.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 50.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 50.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 50.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.0 -37.89 81.03 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 50.0 110.574 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -78.26 -39.8 39.05 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.146 1.535 . . . . 50.0 115.146 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.11 -11.88 59.89 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.467 0.651 . . . . 50.0 111.056 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -73.48 -10.8 60.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.762 -0.654 . . . . 50.0 112.546 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -102.35 -148.82 21.28 Favored Glycine 0 C--O 1.217 -0.917 0 N-CA-C 111.255 -0.738 . . . . 25.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.67 -54.53 4.96 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 121.191 -0.528 . . . . 25.0 114.125 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.63 5.39 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 111.823 0.305 . . . . 50.0 111.823 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.34 108.54 13.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.608 0.718 . . . . 25.0 110.126 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.576 1.655 . . . . 25.0 112.259 177.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpp . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 116.8 2.148 . . . . 25.0 116.8 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.2 -42.79 73.75 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 119.925 -1.734 . . . . 50.0 113.068 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.48 -37.19 86.1 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 122.322 -0.237 . . . . 50.0 111.254 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -66.03 -35.41 80.47 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.739 -0.601 . . . . 50.0 110.427 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 50.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 50.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 50.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 50.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 50.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 50.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 50.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 50.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 50.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 50.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 50.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 50.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 50.0 109.796 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 50.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 50.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 50.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 50.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 50.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 50.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 50.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 50.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 50.0 110.708 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 50.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 50.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 50.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 50.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 50.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 50.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 50.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 50.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 50.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 50.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 50.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 50.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 50.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.74 -44.12 85.84 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.78 -35.58 81.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.541 0.2 . . . . 50.0 111.541 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.13 -49.31 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.781 0.324 . . . . 50.0 110.756 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -70.61 -31.27 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.519 -0.472 . . . . 50.0 110.967 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.91 -41.62 91.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.255 -0.429 . . . . 50.0 109.892 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.041 0.448 . . . . 25.0 110.214 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.97 -38.4 79.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.912 -0.492 . . . . 50.0 111.05 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.21 -38.58 89.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.47 -0.144 . . . . 25.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.37 -40.21 93.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.053 -0.405 . . . . 50.0 110.741 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.97 68.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 25.0 111.422 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.13 59.95 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.732 0.301 . . . . 25.0 110.712 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.94 -54.9 3.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.759 0.651 . . . . 50.0 112.759 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 48.42 34.38 4.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.926 0.89 . . . . 50.0 113.001 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.07 -5.62 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.936 1.087 . . . . 50.0 113.936 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -148.75 116.39 6.25 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.436 -0.95 . . . . 50.0 108.436 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 123.448 1.594 . . . . 25.0 113.333 -179.363 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.881 1.823 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.18 157.04 38.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 113.113 -1.543 . . . . 25.0 107.986 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -148.63 142.22 25.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 105.489 -2.041 . . . . 25.0 105.489 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.1 158.74 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -140.63 153.21 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.79 -0.819 . . . . 25.0 108.79 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.91 91.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -72.0 138.51 48.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.4 t -147.29 -179.39 6.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.81 48.8 20.56 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.064 0.935 . . . . 25.0 112.062 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.16 15.66 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.194 -0.912 . . . . 25.0 110.23 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.0 175.28 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 70.75 113.41 0.05 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 125.793 1.933 . . . . 25.0 113.151 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 65.9 mtt -84.11 153.49 23.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.571 -1.64 . . . . 50.0 106.571 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.99 145.99 50.07 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.653 -0.784 . . . . 25.0 112.145 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -125.86 99.92 6.16 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 103.451 -2.796 . . . . 50.0 103.451 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.6 p -112.84 28.83 8.46 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.898 -1.501 . . . . 25.0 110.416 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.79 127.85 32.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.11 164.86 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.287 31.3 tt0 66.94 -97.04 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 116.6 -1.667 . . . . 25.0 112.442 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.72 78.96 3.5 Favored 'Trans proline' 0 C--N 1.37 1.686 1 C-N-CA 111.844 -4.971 . . . . 25.0 114.154 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.2 67.07 2.2 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.114 0.566 . . . . 25.0 111.107 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.66 137.34 22.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 115.113 -2.792 . . . . 50.0 113.531 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.96 178.17 7.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.4 -1.704 . . . . 50.0 106.4 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -119.26 -44.8 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 115.863 1.801 . . . . 50.0 115.863 -175.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.03 166.62 29.54 Favored 'Trans proline' 0 C--N 1.351 0.694 1 C-N-CA 112.985 -4.21 . . . . 25.0 110.698 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p -81.7 8.97 8.62 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.844 0.313 . . . . 25.0 111.844 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.4 t 65.49 178.69 0.2 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.332 1.053 . . . . 25.0 111.322 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.93 160.22 63.75 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.225 -1.398 . . . . 50.0 107.225 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.85 164.15 34.63 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.754 -1.03 . . . . 50.0 112.409 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 32.3 p -77.04 1.18 18.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 30.7 p -81.02 142.1 33.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.4 179.73 35.73 Favored Glycine 0 C--O 1.236 0.269 0 CA-C-O 119.335 -0.703 . . . . 50.0 112.176 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.69 154.06 49.04 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 CA-C-N 118.927 1.363 . . . . 50.0 113.619 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.46 165.41 27.39 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 118.487 -0.542 . . . . 50.0 113.213 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -99.37 -173.57 31.16 Favored Glycine 0 CA--C 1.518 0.254 0 N-CA-C 110.264 -1.134 . . . . 25.0 110.264 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -73.88 163.57 27.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -145.03 153.16 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.68 -173.86 42.3 Favored Glycine 0 C--O 1.227 -0.331 0 O-C-N 123.087 0.242 . . . . 25.0 113.598 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.35 13.37 52.03 Favored Glycine 0 C--O 1.224 -0.485 0 N-CA-C 114.993 0.757 . . . . 25.0 114.993 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m -111.17 94.14 4.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.663 0.385 . . . . 25.0 111.088 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.27 92.65 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.498 -0.927 . . . . 50.0 108.498 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.77 138.05 52.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 50.0 109.573 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.1 m -154.48 155.4 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.77 143.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.027 -1.471 . . . . 25.0 107.027 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 40.8 mm -109.62 128.31 65.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -116.13 -2.92 12.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.558 0.694 . . . . 25.0 111.2 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 49.86 33.64 6.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.99 -1.459 . . . . 50.0 114.911 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.44 8.73 71.93 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 117.139 1.615 . . . . 25.0 117.139 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.01 142.68 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 176.82 38.48 0.05 OUTLIER Glycine 0 C--O 1.221 -0.69 0 N-CA-C 118.271 2.068 . . . . 25.0 118.271 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -78.68 -76.08 0.21 Allowed 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 32.9 tp 62.28 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.11 1.364 . . . . 50.0 114.094 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 54.4 m -145.12 106.15 4.16 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 121.347 -0.845 . . . . 25.0 109.058 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.03 24.54 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 123.352 0.661 . . . . 25.0 110.675 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.19 -179.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.409 -1.7 . . . . 50.0 106.409 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 50.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 50.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 50.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 50.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 50.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -59.67 -40.97 89.53 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.42 -20.78 60.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.891 1.441 . . . . 50.0 114.891 -176.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.35 -18.84 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.484 0.659 . . . . 50.0 110.471 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -90.93 -12.31 36.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.168 -0.923 . . . . 50.0 111.727 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.84 50.63 Favored Glycine 0 C--O 1.224 -0.529 0 N-CA-C 108.435 -1.866 . . . . 25.0 108.435 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.21 5.08 57.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 115.789 1.076 . . . . 25.0 115.789 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.33 1.98 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 121.927 0.87 . . . . 50.0 111.73 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -146.24 101.62 3.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.147 0 CA-C-O 123.615 1.674 . . . . 25.0 111.374 -179.66 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtm . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -56.94 -45.15 82.99 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.933 -1.104 . . . . 50.0 112.78 -175.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -64.09 -36.09 82.87 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.928 -0.483 . . . . 50.0 110.43 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -69.57 -33.15 72.31 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.049 -0.407 . . . . 50.0 111.159 178.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 50.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 50.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 50.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 50.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 50.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.475 ' HG ' ' HG ' ' B' ' 152' ' ' LEU . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 50.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 50.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 50.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 50.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 50.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 50.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 50.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 50.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 50.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 50.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 50.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 50.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 50.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 50.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 50.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 50.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 50.0 110.732 176.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 50.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 50.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 50.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 50.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 50.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 50.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 50.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 50.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 50.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 50.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.413 ' HH ' ' HB3' ' B' ' 156' ' ' ASP . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 50.0 111.568 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 50.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 50.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.83 -41.5 95.92 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.51 -36.0 82.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.11 -0.369 . . . . 50.0 111.319 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.16 -46.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 122.021 -0.425 . . . . 50.0 111.709 -177.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.7 -32.8 74.55 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.54 -41.92 87.98 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.635 -0.257 . . . . 50.0 111.089 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.37 93.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.82 0.343 . . . . 25.0 110.286 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -70.3 -38.81 75.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.854 0.359 . . . . 50.0 110.235 178.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.3 -38.05 89.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.26 -0.275 . . . . 25.0 111.03 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -66.24 -36.2 82.39 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 50.0 110.963 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.67 -27.64 66.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.706 0.288 . . . . 25.0 111.039 177.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -21.81 46.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.046 0.45 . . . . 25.0 110.747 176.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -94.15 -51.95 4.6 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 51.43 27.29 3.65 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.062 1.345 . . . . 50.0 112.913 -176.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -123.4 62.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 50.0 110.375 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -80.7 73.8 7.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.353 1.073 . . . . 50.0 108.897 178.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 . . . . . 0 C--O 1.207 -1.142 0 CA-C-O 124.533 2.111 . . . . 25.0 110.989 -176.544 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.601 0 CA-C-O 123.634 1.685 . . . . 25.0 115.417 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.56 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 66.6 mtt -86.53 114.55 23.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.2 m -136.48 157.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -86.24 49.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.532 0.682 . . . . 25.0 109.802 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.01 -174.72 0.14 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.773 1.229 . . . . 25.0 111.952 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -149.38 160.04 43.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 105.957 -1.868 . . . . 50.0 105.957 179.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -118.61 123.14 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 175.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -160.26 152.76 20.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 48.9 37.39 9.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.65 67.01 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.482 0.658 . . . . 25.0 111.22 -177.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.03 178.82 9.85 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.3 ptp -140.63 160.11 40.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.073 -1.454 . . . . 50.0 107.073 176.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -157.39 11.55 0.26 Allowed Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.807 -0.711 . . . . 25.0 113.389 175.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.59 76.83 1.05 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.097 0.951 . . . . 50.0 110.104 -173.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 60.6 p -96.89 1.08 50.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.597 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.44 126.66 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.2 t -88.32 73.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.38 1.086 . . . . 25.0 110.206 -176.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.06 -40.78 31.09 Favored Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 175.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.32 68.69 8.21 Favored 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 116.344 -1.97 . . . . 25.0 115.516 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.61 74.7 12.17 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 122.979 0.511 . . . . 25.0 112.159 177.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.17 143.87 55.18 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 116.379 -1.947 . . . . 50.0 112.175 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.08 135.76 35.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 50.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 37.1 ttpt 92.24 -79.95 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 127.453 2.301 . . . . 50.0 114.992 175.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.91 153.87 42.53 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 110.468 -5.888 . . . . 25.0 110.468 176.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 15.68 3.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 -173.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.6 m -93.7 115.91 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.201 -179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.82 158.35 75.49 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 175.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.76 157.36 55.54 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 117.412 -1.259 . . . . 50.0 112.867 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -145.44 158.73 43.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 178.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 81.3 p -158.32 175.05 14.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 -176.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.88 163.41 34.19 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 109.833 -1.307 . . . . 50.0 109.833 176.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -78.49 155.08 28.01 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 CA-C-N 119.211 1.505 . . . . 50.0 114.147 -176.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.17 159.07 41.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 118.276 -0.683 . . . . 50.0 112.004 174.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.05 35.13 2.34 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 114.501 0.561 . . . . 25.0 114.501 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -107.13 97.84 7.56 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.337 -0.507 . . . . 25.0 111.091 -178.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -157.45 160.84 38.74 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.87 172.65 45.44 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 110.044 -1.222 . . . . 25.0 110.044 179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -153.08 36.35 0.77 Allowed Glycine 0 C--O 1.226 -0.362 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.37 -177.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.3 m -119.35 47.4 1.7 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 122.462 -0.434 . . . . 25.0 112.154 -176.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.76 80.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 50.0 109.06 -178.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.75 160.83 41.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 50.0 110.272 -177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 22.1 t -158.43 170.42 22.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.11 134.66 42.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.4 mp -71.27 121.8 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.583 -0.895 . . . . 50.0 108.583 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 27.6 p -105.63 74.78 1.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 122.688 1.232 . . . . 25.0 111.674 -178.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -141.41 44.61 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 112.943 -1.935 . . . . 50.0 107.255 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.15 8.27 69.77 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 116.743 1.457 . . . . 25.0 116.743 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.4 p -146.27 148.94 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -136.79 -104.61 0.71 Allowed Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.337 -0.705 . . . . 25.0 111.337 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.59 158.74 33.87 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.85 0.685 . . . . 50.0 112.85 -178.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . 0.475 ' HG ' ' HG ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -85.2 120.67 26.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.027 -0.533 . . . . 50.0 111.149 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.9 m 48.73 44.07 21.29 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 175.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.1 p -68.82 -7.06 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.31 170.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.878 -0.514 . . . . 50.0 111.262 -177.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . 0.413 ' HB3' ' HH ' ' A' ' 49' ' ' TYR . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 50.0 109.067 173.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 50.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 50.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 50.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 50.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 50.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 50.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.25 -26.51 65.72 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 50.0 110.236 174.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.35 -29.61 47.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.699 -0.626 . . . . 50.0 112.578 178.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.39 -15.59 60.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.849 0.833 . . . . 50.0 109.946 174.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -95.99 13.43 27.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.184 -0.916 . . . . 50.0 112.734 -178.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 109.91 -18.32 29.09 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 114.892 0.717 . . . . 25.0 114.892 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 70.31 25.6 75.42 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-N 117.878 0.839 . . . . 25.0 112.283 176.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 54.96 43.24 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.418 0.628 . . . . 50.0 111.05 -179.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 59.95 79.78 0.22 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.487 1.137 . . . . 25.0 112.893 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.488 1.428 0 C-N-CA 125.156 1.382 . . . . 25.0 113.357 176.639 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 122.933 1.349 . . . . 25.0 112.63 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -71.65 -28.7 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.679 -1.263 . . . . 50.0 108.822 178.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -61.86 -25.18 67.37 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.937 -0.477 . . . . 50.0 111.942 176.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -82.63 -35.58 26.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 50.0 110.994 175.435 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 50.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 50.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 50.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 50.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 50.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 50.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 50.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 50.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 50.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 50.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 50.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 50.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 50.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 50.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 50.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 50.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 50.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 50.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 50.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 50.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 50.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 50.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 50.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 50.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 50.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 50.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 50.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 50.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 50.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 50.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 50.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 50.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 50.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.61 -41.94 91.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -70.87 -34.05 71.23 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 111.72 0.267 . . . . 50.0 111.72 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.18 -47.06 76.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.97 -0.456 . . . . 50.0 110.015 -177.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.51 -29.73 66.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.07 -41.03 95.45 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.489 -0.323 . . . . 50.0 110.262 176.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.63 91.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -64.24 -40.7 96.56 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.046 -0.408 . . . . 50.0 111.374 177.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -66.14 -38.28 87.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.234 0.54 . . . . 25.0 110.59 179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -65.66 -39.15 91.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.886 -0.509 . . . . 50.0 109.96 178.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.73 64.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.204 0.315 . . . . 25.0 111.743 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 -26.16 59.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.658 0.266 . . . . 25.0 110.664 176.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.9 -48.6 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 54.13 29.36 10.28 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.269 1.028 . . . . 50.0 112.495 -175.586 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -81.51 51.37 1.65 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -175.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 45.74 54.82 7.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.647 1.213 . . . . 50.0 112.505 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 124.96 2.314 . . . . 25.0 111.676 -178.729 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.244 0 CA-C-O 124.957 2.421 . . . . 25.0 113.572 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.29 -11.66 58.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.362 -1.919 . . . . 25.0 111.74 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 tpt -80.37 140.74 35.92 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.11 161.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 -177.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.29 163.19 24.49 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 142.51 32.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 178.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.94 107.6 17.15 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 -179.076 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.008 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tp 65.38 -173.53 0.18 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.308 1.005 . . . . 25.0 111.388 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.32 106.16 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.39 136.99 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 103.664 -2.717 . . . . 25.0 103.664 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.68 155.79 49.91 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.8 mtp -79.72 153.44 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.22 162.01 34.78 Favored Glycine 0 C--O 1.223 -0.589 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 174.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -81.01 -64.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.205 0.526 . . . . 50.0 110.184 -179.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -142.56 12.29 1.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.837 0.827 . . . . 25.0 111.882 -177.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.43 122.27 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -176.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.5 94.92 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -175.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.67 13.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.388 1 N-CA-C 124.218 4.896 . . . . 25.0 124.218 172.232 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -83.35 11.58 3.24 Favored 'Trans proline' 0 C--N 1.363 1.319 1 C-N-CA 112.88 -4.28 . . . . 25.0 112.919 173.089 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.59 114.57 39.86 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 114.892 1.441 . . . . 25.0 114.892 -169.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.29 156.16 50.94 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.746 -1.703 . . . . 50.0 109.92 169.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.12 165.64 35.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.124 1.157 . . . . 50.0 114.124 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 63.9 pttt 48.44 31.03 0.11 Allowed Pre-proline 0 CA--C 1.558 1.274 1 N-CA-C 122.462 4.245 . . . . 50.0 122.462 176.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.3 -14.95 11.63 Favored 'Trans proline' 0 C--N 1.355 0.877 1 C-N-CA 112.499 -4.534 . . . . 25.0 112.035 169.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.5 p -93.25 152.77 18.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.383 0.673 . . . . 25.0 111.602 -176.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -142.15 39.17 1.6 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -125.45 98.34 35.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.119 -0.491 . . . . 50.0 112.047 -177.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.7 145.53 16.22 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 117.728 -1.048 . . . . 50.0 113.078 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -105.27 -16.98 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -176.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -155.82 158.53 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.538 -0.726 . . . . 25.0 109.214 -178.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 151.12 176.18 23.73 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.414 -0.674 . . . . 50.0 111.414 177.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.4 161.51 40.05 Favored 'Trans proline' 0 C--O 1.24 0.6 0 CA-C-N 118.468 1.134 . . . . 50.0 110.779 176.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -79.68 36.28 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 N-CA-C 113.885 0.687 . . . . 50.0 113.885 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.57 111.8 1.55 Allowed Glycine 0 C--O 1.219 -0.843 0 CA-C-O 121.69 0.606 . . . . 25.0 112.939 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -154.19 163.94 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.194 -0.592 . . . . 25.0 109.694 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -147.66 175.7 10.68 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 177.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.58 176.03 48.44 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.834 -0.698 . . . . 25.0 113.747 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.84 170.28 11.83 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 107.899 -2.08 . . . . 25.0 107.899 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.0 m 50.95 30.98 5.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.6 1.333 . . . . 25.0 114.6 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.92 56.63 3.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 50.0 110.313 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.65 148.67 24.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.334 -177.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 65.6 p -152.09 163.94 38.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.63 147.49 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.72 127.09 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.898 -1.149 . . . . 50.0 107.898 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 41.4 p -116.07 71.03 0.77 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.529 1.157 . . . . 25.0 111.299 -177.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -139.08 18.67 2.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.114 -1.857 . . . . 50.0 110.423 -176.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.54 2.63 84.88 Favored Glycine 0 C--O 1.224 -0.488 0 CA-C-N 115.235 -0.893 . . . . 25.0 114.069 -176.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 91.8 t -136.04 125.86 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 179.045 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.5 93.08 0.4 Allowed Glycine 0 C--O 1.216 -1.0 0 N-CA-C 111.721 -0.552 . . . . 25.0 111.721 -177.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.51 156.24 35.35 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 122.206 -0.585 . . . . 50.0 110.09 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -108.69 126.61 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 50.0 111.984 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 57.7 m -134.29 95.7 3.45 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.267 -0.879 . . . . 25.0 109.474 175.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.7 p -91.55 13.0 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 122.781 1.277 . . . . 25.0 108.232 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt -139.24 165.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.076 -1.824 . . . . 50.0 106.076 -179.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 50.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 50.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 50.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 50.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 50.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 50.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 50.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 50.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 50.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.47 -36.96 85.87 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 50.0 110.937 174.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.31 -25.98 51.77 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 -178.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.25 -20.22 65.91 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-O 121.968 0.889 . . . . 50.0 109.292 172.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -97.44 19.91 12.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.255 -0.884 . . . . 50.0 111.41 -177.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.52 81.34 Favored Glycine 0 C--O 1.219 -0.826 0 C-N-CA 121.106 -0.568 . . . . 25.0 113.606 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 82.16 -57.9 4.96 Favored Glycine 0 C--O 1.217 -0.922 0 CA-C-O 121.224 0.347 . . . . 25.0 113.566 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.8 m -96.72 19.88 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 122.833 0.453 . . . . 50.0 111.791 -176.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.81 61.33 2.66 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 122.051 0.929 . . . . 25.0 112.094 179.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.739 2.209 . . . . 25.0 109.933 176.572 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -117.78 45.72 1.9 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 120.291 -1.506 . . . . 50.0 108.994 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -27.1 6.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.274 1.953 . . . . 50.0 116.274 -172.074 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -59.73 -29.84 68.41 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.923 -0.486 . . . . 50.0 112.266 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 50.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 50.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 50.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 50.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 50.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 50.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 50.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 50.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 50.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 50.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 50.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 50.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 50.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 50.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 50.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 50.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 50.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 50.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 50.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 50.0 110.861 178.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 50.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 50.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 50.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 50.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 50.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 50.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 50.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 50.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 50.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 50.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 50.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 50.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 50.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -59.51 -41.96 91.14 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.19 -33.68 72.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.272 0.471 . . . . 50.0 112.272 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.94 -47.95 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.834 -0.541 . . . . 50.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.31 -32.15 69.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.49 -0.559 . . . . 50.0 109.49 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.8 -43.27 96.79 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 177.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.31 78.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.272 0.558 . . . . 25.0 110.863 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -73.87 -37.51 64.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.007 0.432 . . . . 50.0 110.534 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -38.96 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.854 -0.528 . . . . 25.0 110.323 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -68.89 -35.94 77.46 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.635 -0.665 . . . . 50.0 110.326 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.67 65.24 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.462 0.171 . . . . 25.0 111.462 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.97 -43.78 23.8 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.974 0.416 . . . . 25.0 110.533 175.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.95 -50.4 42.24 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.503 0.557 . . . . 50.0 112.503 -177.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 48.68 24.95 0.87 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.564 1.69 . . . . 50.0 115.564 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -77.93 20.59 0.35 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.475 1.287 . . . . 50.0 114.475 -175.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 52.08 42.99 30.83 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.431 1.11 . . . . 50.0 111.408 176.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 C--O 1.207 -1.132 0 CA-C-O 124.372 2.034 . . . . 25.0 111.514 -178.864 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.277 0 CA-C-O 124.327 2.071 . . . . 25.0 115.139 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.26 173.38 12.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.182 -1.509 . . . . 25.0 107.988 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtm -121.54 157.54 30.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 176.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.76 114.67 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.117 0.261 . . . . 25.0 110.691 -174.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.65 39.22 3.36 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.28 168.47 24.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 63.84 16.01 9.5 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.211 0.944 . . . . 50.0 111.636 -178.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -82.4 37.47 0.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.774 -0.579 . . . . 25.0 111.389 176.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.96 154.31 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 -176.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.82 126.5 43.47 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 177.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.07 76.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.673 0.749 . . . . 25.0 109.964 179.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.71 68.37 4.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.083 0.468 . . . . 25.0 111.255 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 12.9 ptp -76.91 3.14 12.76 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.662 0.986 . . . . 50.0 113.662 -174.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.74 -0.83 83.05 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 116.142 -0.481 . . . . 25.0 114.136 178.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.07 54.76 1.96 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.058 0.932 . . . . 50.0 113.082 -177.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.2 p -103.12 8.34 38.67 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.86 138.7 18.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.95 -1.023 . . . . 25.0 108.638 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.53 97.8 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 103.381 -2.822 . . . . 25.0 103.381 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -45.89 -51.69 29.42 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -172.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.43 ' HG2' ' H ' ' B' ' 121' ' ' ALA . 62.4 Cg_endo -72.47 -67.9 0.02 OUTLIER 'Trans proline' 0 CA--C 1.543 0.967 1 C-N-CA 113.287 -4.009 . . . . 25.0 113.979 177.056 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . 0.43 ' H ' ' HG2' ' B' ' 120' ' ' PRO . . . -174.84 145.43 0.92 Allowed Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.657 -1.979 . . . . 25.0 105.657 176.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.24 158.94 26.46 Favored 'Trans proline' 0 C--O 1.242 0.685 0 C-N-CA 116.257 -2.029 . . . . 50.0 111.491 172.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 31.2 mt 58.07 -170.07 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.723 0.809 . . . . 50.0 112.366 176.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.268 83.1 tttt 75.64 -96.07 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.221 0 CA-C-O 116.609 -1.662 . . . . 50.0 110.765 -174.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.77 134.17 23.37 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 108.271 -7.353 . . . . 25.0 112.525 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -157.48 159.77 37.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 178.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -155.91 74.32 0.86 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.618 0.367 . . . . 25.0 110.441 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -115.89 104.26 52.76 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.629 -175.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.09 140.74 28.59 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 116.919 -1.587 . . . . 50.0 112.335 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 11.1 t -144.9 -4.29 0.75 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.507 1.299 . . . . 25.0 114.507 -176.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.0 t -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.769 -0.582 . . . . 25.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.36 169.99 36.28 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.268 -1.533 . . . . 50.0 109.268 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.0 158.66 38.2 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 119.249 1.524 . . . . 50.0 114.072 -176.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.83 154.47 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 118.41 -0.593 . . . . 50.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -118.69 52.59 0.7 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 114.824 0.689 . . . . 25.0 114.824 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -137.02 96.96 3.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.679 0.739 . . . . 25.0 111.199 178.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.05 134.22 20.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.5 -163.53 32.58 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 110.676 -0.969 . . . . 25.0 110.676 -176.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.5 4.42 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 116.389 1.316 . . . . 25.0 116.389 177.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 48.3 t -122.79 79.22 1.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.245 1.022 . . . . 25.0 111.298 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 83.16 1.94 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 177.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 64.7 mt -132.79 135.66 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.555 0.342 . . . . 50.0 111.092 -173.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 46.3 m -153.61 142.25 20.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.08 130.23 48.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 105.522 -2.029 . . . . 25.0 105.522 179.029 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.67 117.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.666 -0.864 . . . . 50.0 108.666 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 p -110.74 74.93 0.9 Allowed 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 122.45 1.119 . . . . 25.0 110.049 -177.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -140.96 48.31 1.7 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.936 -176.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.06 -14.89 71.05 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.325 -0.852 . . . . 25.0 114.732 -176.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.02 136.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.472 -1.677 . . . . 25.0 106.472 177.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.16 47.68 0.11 Allowed Glycine 0 C--O 1.225 -0.414 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 -174.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.96 157.89 35.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.22 -0.49 . . . . 50.0 111.554 -177.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.3 tp 56.74 -119.4 1.28 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.845 0.858 . . . . 50.0 113.309 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.2 m -92.44 68.3 4.88 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.347 -0.846 . . . . 25.0 112.796 -172.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.68 -3.82 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 122.59 1.186 . . . . 25.0 109.248 173.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.12 171.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 124.345 1.058 . . . . 50.0 110.159 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 50.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 50.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 50.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 50.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 50.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 50.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 50.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 50.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 50.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -68.0 -43.35 79.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 174.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.55 -27.2 60.41 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.649 1.351 . . . . 50.0 114.649 -177.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.56 -14.46 62.51 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.609 -0.682 . . . . 50.0 109.792 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -79.68 -6.4 57.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 50.0 111.342 174.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.49 -173.02 32.14 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -171.96 -45.75 0.04 OUTLIER Glycine 0 C--O 1.221 -0.716 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.4 12.23 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 CA-C-O 121.186 0.517 . . . . 50.0 110.28 174.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -127.75 115.38 18.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -178.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 124.325 2.012 . . . . 25.0 111.719 -178.703 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.202 1.477 . . . . 25.0 114.198 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -69.07 -29.14 67.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.973 -1.08 . . . . 50.0 109.215 177.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -58.98 -33.69 70.96 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.775 -0.648 . . . . 50.0 110.947 176.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -80.64 -38.14 29.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.149 -0.345 . . . . 50.0 111.91 177.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 50.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 50.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 50.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 50.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 50.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 50.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 50.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 50.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 50.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 50.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 50.0 110.035 -177.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 50.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 50.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 50.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 50.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 50.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 50.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 50.0 110.303 173.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 50.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 50.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 50.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 50.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 50.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 50.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 50.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 50.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 50.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 50.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 50.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.89 -42.29 93.46 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.72 -30.96 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.935 0.346 . . . . 50.0 111.935 179.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.58 -47.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 118.337 0.517 . . . . 50.0 111.684 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -67.54 -30.74 70.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.965 -0.754 . . . . 50.0 108.965 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.36 -43.35 86.26 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.844 -0.616 . . . . 50.0 110.01 176.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.08 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.26 -41.72 96.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.315 . . . . 50.0 110.277 176.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -40.14 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.194 0.442 . . . . 25.0 112.194 178.035 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -65.11 -36.87 85.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.879 -0.415 . . . . 50.0 109.879 178.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 -30.24 66.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.096 0.247 . . . . 25.0 110.936 178.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -32.98 63.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 25.0 110.122 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.16 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.068 0.766 . . . . 50.0 113.068 -177.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 47.81 26.37 0.9 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.057 0.943 . . . . 50.0 113.259 -173.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -97.96 37.81 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.489 0.922 . . . . 50.0 113.489 -172.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 53.33 47.88 23.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.882 1.325 . . . . 50.0 110.948 -177.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--O 1.208 -1.104 0 CA-C-O 124.152 1.93 . . . . 25.0 111.505 178.349 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.986 0 CA-C-O 124.458 2.144 . . . . 25.0 113.757 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.14 152.3 29.32 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 113.604 -1.298 . . . . 25.0 108.367 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.5 ptm -133.58 138.26 45.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 178.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.2 t -134.46 129.95 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -175.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 47.73 33.54 3.2 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 179.132 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.92 64.86 3.23 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.909 -0.495 . . . . 25.0 110.934 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -148.99 144.25 26.64 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.778 -0.452 . . . . 50.0 109.778 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 39.2 m -152.71 94.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.89 16.12 4.25 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.363 0.601 . . . . 25.0 111.957 -174.069 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.62 78.54 1.33 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.374 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.82 117.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.71 29.26 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.08 -0.509 . . . . 25.0 111.481 -176.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.41 143.08 38.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.16 7.12 72.63 Favored Glycine 0 N--CA 1.462 0.382 0 CA-C-O 122.073 0.818 . . . . 25.0 112.02 -177.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.73 74.01 1.12 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.219 1.009 . . . . 50.0 109.431 -175.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.7 p -93.6 8.3 41.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.096 1.147 . . . . 25.0 114.096 -175.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 87.9 t -71.51 129.21 35.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 12.7 p -141.64 149.12 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 -177.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.54 23.69 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.473 0 N-CA-C 119.937 3.31 . . . . 25.0 119.937 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.92 -5.5 13.04 Favored 'Trans proline' 0 C--N 1.362 1.243 1 C-N-CA 112.701 -4.4 . . . . 25.0 112.262 173.415 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.89 159.4 68.76 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.119 -177.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -68.55 175.09 7.47 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 116.772 -1.685 . . . . 50.0 110.977 170.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.39 135.87 49.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.406 0.622 . . . . 50.0 110.343 -178.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -56.09 -31.36 9.66 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 120.131 3.382 . . . . 50.0 120.131 -174.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.42 124.61 10.51 Favored 'Trans proline' 0 C--N 1.359 1.093 1 C-N-CA 111.985 -4.877 . . . . 25.0 112.683 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -150.04 166.87 28.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -87.2 107.91 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.91 79.82 50.21 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-O 121.297 0.57 . . . . 50.0 110.592 -179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.55 149.59 27.24 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 117.39 -1.273 . . . . 50.0 112.202 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -152.51 172.41 16.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 52.6 m -145.27 147.11 32.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.98 -176.22 47.55 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 109.782 -1.327 . . . . 50.0 109.782 -178.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.68 162.96 39.84 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 118.99 1.395 . . . . 50.0 111.971 178.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.66 164.87 33.88 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 117.835 -0.977 . . . . 50.0 113.28 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.54 157.97 53.4 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.692 -0.686 . . . . 25.0 113.19 179.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -82.02 173.59 12.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 25.0 110.592 -179.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -142.51 -177.45 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 -178.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -151.14 175.91 29.87 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.01 -0.614 . . . . 25.0 111.711 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.82 -169.57 46.02 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 121.523 -0.37 . . . . 25.0 113.191 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.3 m -105.86 178.71 4.48 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 50.2 tp -124.19 81.92 1.98 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.727 -2.033 . . . . 50.0 106.994 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.3 mt -83.57 149.15 26.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.788 -1.096 . . . . 50.0 110.648 -176.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.6 p -151.54 159.87 43.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 104.733 -2.321 . . . . 25.0 104.733 176.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.59 135.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.41 128.89 33.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.705 -1.22 . . . . 50.0 107.705 178.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -109.48 -2.64 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.646 0.736 . . . . 25.0 111.278 -178.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 42.98 51.12 5.35 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.825 1.417 . . . . 50.0 114.825 175.107 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.44 20.49 13.91 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 115.139 0.815 . . . . 25.0 115.139 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.1 120.68 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -128.79 -70.84 0.14 Allowed Glycine 0 N--CA 1.46 0.288 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.57 -46.56 0.1 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 119.963 3.32 . . . . 50.0 119.963 173.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.48 124.11 18.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.841 1.423 . . . . 50.0 114.841 -169.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.8 m -89.22 75.59 7.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.147 -1.388 . . . . 25.0 108.378 176.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.8 p -82.5 18.33 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-O 122.004 0.907 . . . . 25.0 111.949 -176.046 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt -128.89 164.41 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 121.617 -0.677 . . . . 50.0 111.679 -174.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 50.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 50.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 50.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 50.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 50.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 50.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 50.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 50.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 50.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.23 -38.82 92.67 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 50.0 110.231 175.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.25 -20.5 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.318 1.229 . . . . 50.0 114.318 -178.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.04 -17.35 64.63 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 172.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -96.52 7.44 46.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.756 -0.657 . . . . 50.0 111.206 -179.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.64 -86.98 0.63 Allowed Glycine 0 C--O 1.219 -0.82 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -149.13 36.46 1.03 Allowed Glycine 0 C--O 1.219 -0.787 0 CA-C-O 119.994 -0.337 . . . . 25.0 113.078 -175.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 67.81 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 116.136 1.902 . . . . 50.0 116.136 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -80.02 62.08 4.1 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.352 1.072 . . . . 25.0 110.063 175.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 123.405 1.574 . . . . 25.0 114.359 -176.111 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 125.781 2.705 . . . . 25.0 114.456 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -68.78 -19.66 64.32 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.42 -2.05 . . . . 50.0 110.558 -178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.54 -27.95 65.03 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.768 0.427 . . . . 50.0 110.914 177.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -51.32 -33.45 29.17 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 50.0 111.191 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 50.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 50.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 50.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 50.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 50.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 50.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 50.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 50.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 50.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 50.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 50.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 50.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 50.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 50.0 110.284 -173.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 50.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 50.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 50.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 50.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 50.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 50.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 50.0 110.093 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 50.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 50.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 50.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 50.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 50.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 50.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 50.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 50.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 50.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 50.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 50.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.21 -42.88 87.17 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.56 -33.53 75.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.273 0.471 . . . . 50.0 112.273 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.35 -49.85 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.842 -0.429 . . . . 50.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -69.07 -32.08 71.28 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.008 -0.677 . . . . 50.0 109.532 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.15 -42.64 93.6 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.627 -0.508 . . . . 50.0 109.627 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.07 78.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.202 177.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.46 -36.9 79.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 50.0 111.291 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.22 -37.25 86.7 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.119 -0.363 . . . . 25.0 110.815 177.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -67.42 -34.37 77.09 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 122.109 -0.369 . . . . 50.0 110.398 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.42 68.69 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.169 -0.332 . . . . 25.0 111.069 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.92 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 25.0 111.209 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.0 -53.23 8.69 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.945 0.721 . . . . 50.0 112.945 -176.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 48.67 33.82 4.56 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.147 1.166 . . . . 50.0 114.147 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -146.13 36.83 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.687 -0.633 . . . . 50.0 110.812 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -136.39 125.29 24.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.382 -1.34 . . . . 50.0 107.382 -179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 C--O 1.197 -1.676 0 CA-C-O 124.44 2.067 . . . . 25.0 112.839 -177.089 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.666 0 CA-C-O 122.927 1.293 . . . . 25.0 115.405 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.03 133.96 33.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.772 -0.84 . . . . 25.0 109.709 -178.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.1 ttt -151.97 158.82 43.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 178.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.0 165.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.41 157.04 36.64 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.588 0.709 . . . . 25.0 112.543 -178.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.15 130.76 9.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 143.94 37.36 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.428 -0.582 . . . . 50.0 109.428 178.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 92.35 4.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.175 0.512 . . . . 25.0 111.9 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tt -154.48 111.32 3.33 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.82 129.26 18.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 174.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.75 118.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.23 97.71 0.81 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 -177.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.9 mpp? 57.19 -160.4 0.23 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.142 0.901 . . . . 50.0 109.146 -175.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.56 -179.17 29.27 Favored Glycine 0 C--O 1.221 -0.673 0 N-CA-C 109.08 -1.608 . . . . 25.0 109.08 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -82.64 -18.23 41.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.361 0.601 . . . . 50.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p 47.18 61.83 2.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.476 -0.784 . . . . 25.0 112.643 179.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.64 134.7 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.41 179.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.43 114.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.719 0.771 . . . . 25.0 112.322 -174.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 94.15 -29.77 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.213 0 N-CA-C 121.026 3.713 . . . . 25.0 121.026 167.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.99 131.81 18.77 Favored 'Trans proline' 0 C--N 1.353 0.764 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.66 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.18 95.01 5.18 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 111.865 0.321 . . . . 25.0 111.865 -178.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -67.84 148.85 77.66 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 116.02 -2.187 . . . . 50.0 110.363 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.25 165.34 32.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.613 -0.267 . . . . 50.0 110.417 -177.011 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 103.31 -60.2 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.397 0 C-N-CA 128.894 2.877 . . . . 50.0 113.572 -178.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.59 162.53 32.92 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 112.076 -4.816 . . . . 25.0 110.34 176.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -137.07 -9.56 1.76 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.056 0.931 . . . . 25.0 111.832 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -159.34 123.32 3.84 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.067 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -137.06 89.05 17.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 103.766 -2.679 . . . . 50.0 103.766 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.46 163.93 26.67 Favored 'Trans proline' 0 C--N 1.347 0.468 0 N-CA-C 115.896 1.46 . . . . 50.0 115.896 -164.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.3 p -62.24 117.81 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.052 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 p -157.18 168.3 27.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 -176.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.92 -179.46 16.79 Favored Glycine 0 C--O 1.236 0.233 0 CA-C-O 119.682 -0.51 . . . . 50.0 112.443 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.03 160.67 42.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 CA-C-N 118.746 1.273 . . . . 50.0 111.876 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.17 154.15 70.54 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 117.259 -1.361 . . . . 50.0 113.824 178.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -94.95 -162.9 34.83 Favored Glycine 0 C--O 1.22 -0.733 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 176.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 57.41 35.86 26.44 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -64.94 126.53 28.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.863 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.8 -174.69 35.16 Favored Glycine 0 CA--C 1.508 -0.394 0 N-CA-C 109.686 -1.366 . . . . 25.0 109.686 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.82 38.36 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 108.931 -1.668 . . . . 25.0 108.931 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.5 m 52.71 31.81 10.98 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.496 1.665 . . . . 25.0 115.496 177.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.35 49.29 1.11 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.61 0.719 . . . . 50.0 109.503 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.59 161.52 42.41 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.786 -0.572 . . . . 50.0 110.242 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.7 m -138.59 132.48 31.11 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 175.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.64 126.82 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.51 130.33 34.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 179.359 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.4 t -116.9 0.89 12.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.145 0.974 . . . . 25.0 109.472 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 47.9 35.03 4.44 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 113.827 -1.533 . . . . 50.0 113.347 175.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.69 17.39 25.98 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.11 146.88 11.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.11 -46.49 0.39 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -126.09 160.96 28.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.481 0.658 . . . . 50.0 112.052 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . 0.425 ' HG ' ' HG ' ' B' ' 153' ' ' SER . 47.9 tp -87.48 133.94 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.431 -0.804 . . . . 50.0 110.738 -178.173 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 153' ' ' SER . . . . . 0.425 ' HG ' ' HG ' ' B' ' 152' ' ' LEU . 15.5 m 50.88 56.16 8.43 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.516 1.673 . . . . 25.0 115.516 174.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 m -76.77 44.91 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 122.234 1.016 . . . . 25.0 111.93 175.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt -146.71 177.92 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 50.0 107.064 -172.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 50.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 50.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 50.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 50.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 50.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 50.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 50.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 50.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 50.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 50.0 110.457 176.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.5 -18.58 59.78 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.527 0.936 . . . . 50.0 113.527 -175.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.34 -19.98 65.1 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 171.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -98.39 14.21 28.88 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 123.418 0.687 . . . . 50.0 111.018 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.98 4.28 90.08 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.078 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 86.79 -14.43 56.31 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.989 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 16.5 m -82.25 39.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.427 1.108 . . . . 50.0 111.159 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -98.08 80.13 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 178.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 123.755 1.74 . . . . 25.0 113.46 -176.446 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 125.752 2.691 . . . . 25.0 114.24 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -107.29 119.47 39.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 113.907 -1.497 . . . . 50.0 112.898 -175.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.76 -34.07 77.02 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 122.171 -0.331 . . . . 50.0 111.049 177.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.24 -38.27 73.55 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.183 -0.948 . . . . 50.0 112.155 -178.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 50.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 50.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 50.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 50.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 50.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 50.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 50.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 50.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 50.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 50.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 50.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 50.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 50.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 50.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 50.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 50.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 50.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 50.0 110.51 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 50.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 50.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 50.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.058 -179.619 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 50.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 50.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 50.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 50.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 50.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 50.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 50.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 50.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 50.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 50.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -58.52 -43.43 89.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -28.16 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.192 0.812 . . . . 50.0 113.192 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.12 -48.23 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.303 -0.559 . . . . 50.0 110.469 178.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.87 -30.22 65.2 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.361 -0.936 . . . . 50.0 110.892 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.88 -42.5 90.24 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.187 -0.672 . . . . 50.0 109.187 176.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.29 -44.68 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.032 0.444 . . . . 25.0 110.094 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.68 -37.33 79.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.688 -0.687 . . . . 50.0 110.63 178.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -62.9 -33.99 76.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.739 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -65.91 -36.23 82.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.523 -0.736 . . . . 50.0 110.281 177.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.88 66.57 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-O 121.451 0.643 . . . . 25.0 110.63 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.12 -23.04 57.82 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.492 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.35 -57.39 2.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 -176.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 42.77 33.88 0.53 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.513 1.301 . . . . 50.0 114.513 -175.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -124.72 81.13 1.92 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.921 -0.582 . . . . 50.0 111.442 -174.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 52.45 48.35 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.185 0.993 . . . . 50.0 111.79 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.213 -0.859 0 CA-C-O 125.126 2.394 . . . . 25.0 112.01 178.509 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.452 0 CA-C-O 125.554 2.752 . . . . 25.0 112.884 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.41 72.49 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.021 -2.089 . . . . 25.0 111.137 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.3 mmt 44.76 46.05 8.49 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.24 0.963 . . . . 25.0 112.074 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.57 147.13 25.69 Favored 'Isoleucine or valine' 0 C--O 1.25 1.118 0 CA-C-O 121.766 0.793 . . . . 25.0 112.68 -170.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.74 159.59 15.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 48.08 53.13 12.12 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.146 0.974 . . . . 25.0 112.299 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -59.43 115.9 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.285 1.217 . . . . 50.0 114.285 -175.471 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 p -90.65 100.43 13.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.432 -0.804 . . . . 25.0 112.415 175.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.66 102.15 13.55 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 174.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.16 111.04 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.122 -0.695 . . . . 25.0 109.122 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.21 29.27 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 CA-C-O 121.181 0.515 . . . . 25.0 111.521 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 50.28 60.19 4.02 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.785 -1.098 . . . . 25.0 112.113 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 56.7 mtt -75.15 113.31 12.34 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.084 -0.507 . . . . 50.0 110.862 -178.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.19 -169.53 54.52 Favored Glycine 0 C--O 1.224 -0.523 0 N-CA-C 109.393 -1.483 . . . . 25.0 109.393 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.66 -24.97 31.12 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.552 0.945 . . . . 50.0 113.552 -177.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.7 p 46.36 34.58 2.33 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.8 0.809 . . . . 25.0 113.075 -176.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.3 p -64.11 140.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.078 -0.965 . . . . 25.0 112.49 -172.039 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.6 t -119.36 108.38 23.62 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 177.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.64 -35.82 25.86 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -174.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -76.06 77.49 3.46 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 115.127 -2.782 . . . . 25.0 113.179 169.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.69 149.58 98.22 Favored Pre-proline 0 C--O 1.24 0.598 0 CA-C-N 115.758 -0.656 . . . . 25.0 112.502 -175.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.43 171.37 16.98 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 CA-C-O 122.586 0.994 . . . . 50.0 112.97 176.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.42 148.23 50.95 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 172.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -47.48 -49.76 53.08 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.007 2.225 . . . . 50.0 117.007 -174.386 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.5 114.79 4.11 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 113.623 -3.785 . . . . 25.0 112.816 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 45.8 p -116.71 168.68 9.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 78.2 p -141.61 70.25 1.34 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.613 -0.722 . . . . 25.0 109.925 -179.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -115.07 77.27 4.97 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.823 -0.626 . . . . 50.0 111.99 -175.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -77.01 155.82 33.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 116.939 -1.574 . . . . 50.0 112.199 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -132.0 23.46 4.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.264 1.031 . . . . 25.0 108.262 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.9 p -73.72 149.08 42.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.565 -0.743 . . . . 25.0 110.154 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -121.19 176.1 16.23 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-O 119.616 -0.547 . . . . 50.0 112.548 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.37 151.5 42.96 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.102 1.201 . . . . 50.0 114.031 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.35 151.96 38.62 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 118.609 -0.461 . . . . 50.0 112.64 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.03 65.11 0.55 Allowed Glycine 0 C--O 1.225 -0.412 0 CA-C-O 121.197 0.331 . . . . 25.0 112.619 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -131.59 112.37 12.55 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 122.191 -0.594 . . . . 25.0 111.87 -178.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -155.12 125.58 6.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.584 0.175 . . . . 25.0 110.779 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.0 -171.15 54.05 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.462 -0.875 . . . . 25.0 113.283 176.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.41 25.77 0.4 Allowed Glycine 0 C--O 1.22 -0.766 0 N-CA-C 114.325 0.49 . . . . 25.0 114.325 179.314 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 m 52.08 48.67 22.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.915 1.08 . . . . 25.0 113.915 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 79.7 mt -113.67 64.08 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 50.0 110.888 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.73 134.68 35.87 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.754 -0.832 . . . . 50.0 108.754 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.0 p -154.45 163.44 40.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 175.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.94 141.53 19.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 104.719 -2.326 . . . . 25.0 104.719 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.9 mm -106.42 130.83 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.013 -1.106 . . . . 50.0 108.013 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 t -156.08 119.76 4.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 177.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.99 33.93 1.01 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 122.418 1.104 . . . . 50.0 108.043 -177.488 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -129.59 35.49 2.55 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.232 -0.894 . . . . 25.0 112.694 -178.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.47 125.63 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 -177.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -89.5 -61.07 1.4 Allowed Glycine 0 C--O 1.219 -0.799 0 C-N-CA 120.45 -0.881 . . . . 25.0 113.967 -177.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -142.97 -53.12 0.38 Allowed 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 tp 63.82 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.606 2.076 . . . . 50.0 116.606 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 51.1 m -80.08 86.62 5.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.76 19.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.406 -0.816 . . . . 25.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.34 164.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 123.511 0.725 . . . . 50.0 109.312 -178.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 50.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 50.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 50.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 50.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 50.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 50.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 50.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 50.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 50.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -66.03 -45.57 80.97 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 50.0 109.424 175.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.82 -34.06 69.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.746 1.758 . . . . 50.0 115.746 -177.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.71 -11.04 57.48 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.426 -0.796 . . . . 50.0 111.686 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -80.82 -11.08 59.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 50.0 111.876 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.3 177.96 15.23 Favored Glycine 0 N--CA 1.462 0.39 0 C-N-CA 121.019 -0.61 . . . . 25.0 113.487 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -95.42 -99.25 1.77 Allowed Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.311 -0.471 . . . . 25.0 112.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.71 22.72 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 121.686 0.755 . . . . 50.0 112.5 -179.581 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.21 77.6 8.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.006 0.908 . . . . 25.0 110.357 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.014 2.34 . . . . 25.0 111.986 -179.342 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 124.007 1.861 . . . . 25.0 115.411 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.21 141.73 50.63 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 119.104 -2.248 . . . . 50.0 106.993 176.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -56.36 -23.26 36.43 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 114.913 1.449 . . . . 50.0 114.913 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.88 -33.4 57.83 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 50.0 112.535 178.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 50.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 50.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 50.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 50.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 50.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 50.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 50.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 50.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 50.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 50.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 50.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 50.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 50.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 50.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 50.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 50.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 50.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 50.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 50.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 50.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 50.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 50.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 50.0 110.353 178.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 50.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 50.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 50.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 50.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 50.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 50.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 50.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 50.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 50.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 50.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 50.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 50.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 50.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 50.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.07 -42.84 91.32 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.31 -31.29 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.093 -0.379 . . . . 50.0 111.799 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.6 -49.66 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.196 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.17 -31.14 70.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.43 -0.508 . . . . 50.0 109.971 -178.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.54 -44.19 78.93 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.93 0.395 . . . . 50.0 110.775 176.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.58 83.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.929 0.395 . . . . 25.0 110.218 177.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.8 -36.7 78.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.916 -0.49 . . . . 50.0 110.462 177.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.99 -42.14 98.82 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 120.883 0.373 . . . . 25.0 110.141 178.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.1 -33.23 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.117 -0.364 . . . . 50.0 111.567 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.27 66.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.488 0.185 . . . . 25.0 110.649 177.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 -41.05 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.227 0.537 . . . . 25.0 111.025 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.82 -59.11 2.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.104 0.409 . . . . 50.0 112.104 -176.344 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 50.14 16.8 0.27 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.44 1.644 . . . . 50.0 115.44 -174.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -134.25 10.57 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.736 0.779 . . . . 50.0 111.954 -176.142 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -138.81 94.23 2.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.062 -0.972 . . . . 50.0 109.163 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--O 1.214 -0.792 0 CA-C-O 124.135 1.921 . . . . 25.0 109.832 -178.086 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 122.576 1.098 . . . . 25.0 115.529 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.9 145.09 35.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.53 -0.983 . . . . 25.0 110.035 177.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 64.2 mtm 64.62 164.75 0.15 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.124 1.369 . . . . 25.0 114.391 -179.253 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.1 p -154.67 145.94 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.017 -1.845 . . . . 25.0 106.017 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.71 176.51 5.28 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.928 0.491 . . . . 25.0 110.081 -178.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 53.64 63.41 2.21 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 173.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.58 129.68 42.92 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.292 -0.255 . . . . 50.0 110.9 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 2.5 m -64.55 104.57 0.82 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.143 0.497 . . . . 25.0 112.106 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.87 59.56 1.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 25.0 110.219 -179.399 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.78 100.72 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 25.0 109.538 178.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -157.61 141.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 103.427 -2.805 . . . . 25.0 103.427 179.026 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.9 164.49 37.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.792 -1.559 . . . . 25.0 106.792 -178.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 96.4 mtp -87.6 129.26 35.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.142 -1.059 . . . . 50.0 108.142 176.168 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.29 176.77 48.03 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t0 37.87 55.47 1.59 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.644 1.72 . . . . 50.0 115.644 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 65.3 p -85.41 38.47 0.73 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 121.587 -0.696 . . . . 25.0 110.381 179.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.0 t -85.9 113.44 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.989 0.899 . . . . 25.0 109.603 -177.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.4 m -88.93 73.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -175.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 86.51 -25.27 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.462 1 N-CA-C 122.064 4.098 . . . . 25.0 122.064 172.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.58 136.37 30.66 Favored 'Trans proline' 0 C--N 1.362 1.242 1 C-N-CA 110.441 -5.906 . . . . 25.0 111.935 176.435 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.11 154.34 42.08 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -173.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.92 -178.78 4.38 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 CA-C-O 121.849 0.687 . . . . 50.0 111.537 171.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.52 147.49 36.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.891 -1.151 . . . . 50.0 107.891 174.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -50.28 -33.74 8.91 Favored Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 121.304 3.816 . . . . 50.0 121.304 -168.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.14 96.1 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 113.697 -3.735 . . . . 25.0 114.343 178.143 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.0 121.66 19.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 178.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.7 t -162.57 141.97 9.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.1 87.24 8.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 176.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.27 132.48 16.5 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 114.704 1.002 . . . . 50.0 114.704 -174.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.4 p -96.53 14.41 24.75 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.67 179.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 66.57 11.0 7.83 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.56 -170.25 44.07 Favored Glycine 0 C--N 1.319 -0.386 0 CA-C-N 115.962 -0.563 . . . . 50.0 113.358 175.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.36 144.04 49.67 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 CA-C-N 118.59 1.195 . . . . 50.0 112.105 -178.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -80.55 43.48 1.54 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 114.562 0.947 . . . . 50.0 114.562 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.81 41.78 93.4 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.987 -0.625 . . . . 25.0 113.123 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -85.57 22.0 1.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -145.01 149.13 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 179.004 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.04 129.42 1.05 Allowed Glycine 0 C--O 1.224 -0.492 0 N-CA-C 111.103 -0.799 . . . . 25.0 111.103 176.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.65 157.15 12.47 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.816 -0.514 . . . . 25.0 111.816 -177.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.6 t 54.19 26.44 6.7 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 74.8 mt -84.76 46.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.121 -0.49 . . . . 50.0 110.239 -179.024 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.59 136.75 52.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.479 0.657 . . . . 50.0 111.165 -174.4 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.7 p -149.19 149.71 31.44 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 103.104 -2.925 . . . . 25.0 103.104 172.156 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.97 139.38 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -178.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.4 mm -107.04 122.2 60.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 -176.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.1 t -103.18 -4.24 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.93 0.871 . . . . 25.0 108.725 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 51.56 17.92 0.63 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.058 2.244 . . . . 50.0 117.058 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 78.62 2.24 84.75 Favored Glycine 0 C--O 1.222 -0.599 0 O-C-N 122.008 -0.433 . . . . 25.0 112.615 179.058 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.06 125.96 23.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 -179.498 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.39 44.61 0.16 Allowed Glycine 0 C--O 1.223 -0.572 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.079 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -104.42 -125.07 0.22 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.446 0.298 . . . . 50.0 110.92 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp 67.06 122.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.841 1.656 . . . . 50.0 114.543 -178.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.5 m -83.84 68.66 10.03 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.956 -1.02 . . . . 25.0 113.653 -175.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.58 49.75 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.896 0.855 . . . . 25.0 110.827 176.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.31 167.91 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.035 -0.984 . . . . 50.0 109.626 -176.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 50.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 50.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 50.0 108.895 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 50.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 50.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 50.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 50.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 50.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 50.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 50.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.02 -37.02 85.52 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 50.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.63 -20.84 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.583 1.327 . . . . 50.0 114.583 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.68 -16.49 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.527 0.68 . . . . 50.0 109.884 175.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -93.67 -0.49 56.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.61 -0.723 . . . . 50.0 112.157 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 64.07 -145.28 49.59 Favored Glycine 0 C--O 1.217 -0.925 0 C-N-CA 119.749 -1.215 . . . . 25.0 110.177 -176.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -81.5 -54.55 3.47 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 116.612 1.405 . . . . 25.0 116.612 -178.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 12.4 m -133.17 46.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.973 1.472 . . . . 50.0 114.973 -170.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -111.18 102.45 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.294 1.045 . . . . 25.0 110.072 175.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.212 -0.912 0 CA-C-O 124.399 2.047 . . . . 25.0 112.568 175.962 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.504 2.265 0 CA-C-O 122.765 1.269 . . . . 25.0 113.582 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -94.15 -1.0 54.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.699 -1.251 . . . . 50.0 110.198 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.05 -40.32 73.34 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 -176.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -68.66 -35.77 77.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.758 0.281 . . . . 50.0 111.758 178.021 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 50.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 50.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 50.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 50.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 50.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 50.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 50.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 50.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 50.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 50.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 50.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 50.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 50.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 50.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 50.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 50.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 50.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 50.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 50.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 50.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 50.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 50.0 109.623 175.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 50.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 50.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 50.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 50.0 111.079 -178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 50.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 50.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 50.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 50.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 50.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 50.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 50.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 50.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 50.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.23 -40.11 80.86 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.92 -34.98 69.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 111.884 0.327 . . . . 50.0 111.884 179.008 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.9 t -70.8 -47.72 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.536 -0.466 . . . . 50.0 110.659 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.33 -33.47 76.05 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.09 -38.57 82.47 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.0 -0.437 . . . . 50.0 111.183 177.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.13 95.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.354 0.597 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.08 -36.66 75.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.557 0.694 . . . . 50.0 110.687 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -66.5 -39.27 88.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.732 -0.605 . . . . 25.0 111.191 176.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.94 -34.49 78.09 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.782 -0.367 . . . . 50.0 110.163 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.72 -28.24 66.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.163 0.185 . . . . 25.0 110.85 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.67 -38.92 25.14 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.972 0.415 . . . . 25.0 111.529 174.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.93 -56.01 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.731 0.641 . . . . 50.0 112.731 -176.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 38.44 35.43 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.572 1.693 . . . . 50.0 115.572 -176.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp 55.05 21.54 3.88 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 114.028 1.121 . . . . 50.0 114.028 -179.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -124.17 60.76 1.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.801 1.286 . . . . 50.0 112.644 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.936 1.827 . . . . 25.0 111.052 175.435 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 122.848 1.249 . . . . 25.0 116.033 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 26.74 4.0 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 121.885 -0.773 . . . . 25.0 110.574 -177.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.3 mtt 60.34 178.95 0.1 Allowed 'General case' 0 N--CA 1.481 1.081 0 O-C-N 124.341 1.025 . . . . 25.0 112.009 -176.131 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.23 148.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 178.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.8 46.85 1.36 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.438 -0.789 . . . . 25.0 112.177 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.17 64.57 1.07 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.967 0.889 . . . . 25.0 109.012 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -86.89 41.65 0.98 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.055 0.761 . . . . 50.0 113.055 -175.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.0 m -77.43 58.6 1.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.811 1.411 . . . . 25.0 114.811 -176.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 55.85 32.73 20.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.861 0.865 . . . . 25.0 112.027 179.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.56 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.438 0.637 . . . . 25.0 111.928 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 m -110.58 68.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.278 0.561 . . . . 25.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.47 69.12 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 41.8 ttm 31.73 72.76 0.07 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.029 1.863 . . . . 50.0 116.029 172.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 32.97 3.1 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.573 178.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -141.77 106.04 4.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.185 -2.154 . . . . 50.0 105.185 -179.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -98.21 9.39 43.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.398 -1.274 . . . . 25.0 112.069 -176.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.29 112.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.694 0.759 . . . . 25.0 111.351 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -125.9 96.15 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.12 -27.84 0.09 OUTLIER Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 117.677 2.473 . . . . 25.0 117.677 -178.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -80.12 4.14 7.03 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 113.304 -3.997 . . . . 25.0 113.754 179.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.78 141.46 90.0 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 122.271 -0.268 . . . . 25.0 111.592 -178.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -79.47 -176.92 3.51 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 CA-C-O 121.607 0.586 . . . . 50.0 111.669 173.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.37 148.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.669 -1.604 . . . . 50.0 106.669 169.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.47 -45.38 97.34 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 117.97 2.582 . . . . 50.0 117.97 -171.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.64 135.63 24.29 Favored 'Trans proline' 0 CA--C 1.539 0.739 1 C-N-CA 112.403 -4.598 . . . . 25.0 114.006 -175.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.9 t -155.72 172.74 17.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 179.065 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -132.32 115.83 16.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -132.79 79.61 63.39 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 121.541 0.686 . . . . 50.0 111.029 -175.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -78.65 144.05 19.4 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 118.124 -0.784 . . . . 50.0 112.904 -178.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 58.1 p -112.27 -7.83 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.718 -0.614 . . . . 25.0 111.498 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.8 p -153.46 165.49 35.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -102.51 169.48 19.46 Favored Glycine 0 C--O 1.234 0.154 0 N-CA-C 109.099 -1.6 . . . . 50.0 109.099 177.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.99 146.49 47.25 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 CA-C-N 119.138 1.469 . . . . 50.0 112.835 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -81.56 54.14 4.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.107 1.205 . . . . 50.0 113.152 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.62 -155.56 16.47 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 109.236 -1.545 . . . . 25.0 109.236 -174.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -150.8 -55.5 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.858 0.329 . . . . 25.0 111.195 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -146.27 -58.16 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -179.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.96 -161.0 34.31 Favored Glycine 0 C--O 1.221 -0.663 0 N-CA-C 110.328 -1.109 . . . . 25.0 110.328 -176.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.36 59.35 0.47 Allowed Glycine 0 C--O 1.221 -0.71 0 C-N-CA 121.226 -0.512 . . . . 25.0 112.864 179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 4.0 p -132.38 77.94 1.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.072 0.463 . . . . 25.0 111.002 -178.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -139.21 70.2 1.37 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.119 -0.492 . . . . 50.0 110.579 -178.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.61 130.76 40.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 112.094 0.405 . . . . 50.0 112.094 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -152.22 157.3 41.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 174.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.21 125.3 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mt -75.15 125.18 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.736 -1.209 . . . . 50.0 107.736 -179.423 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 t -141.37 -0.63 1.4 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.678 0.752 . . . . 25.0 112.582 -178.424 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 47.4 28.14 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.712 1.375 . . . . 50.0 114.712 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.97 10.32 72.12 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.574 -0.822 . . . . 25.0 114.975 -176.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -138.63 125.36 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 116.835 0.318 . . . . 25.0 110.168 -177.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -104.9 62.76 0.34 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.004 -0.839 . . . . 25.0 111.004 178.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 154.45 41.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 50.0 111.904 -178.854 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.74 -48.59 76.42 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.286 0.847 . . . . 50.0 113.286 -175.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 6.5 t -173.13 -167.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 103.895 -2.631 . . . . 25.0 103.895 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.31 9.14 8.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 114.837 -1.074 . . . . 25.0 109.628 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt -140.78 164.27 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.514 -0.766 . . . . 50.0 111.278 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 50.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 50.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 50.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 50.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 50.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 50.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 50.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 50.0 111.847 -179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 50.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.69 -36.02 81.57 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 50.0 111.058 175.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -77.37 -29.0 53.09 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.985 0.735 . . . . 50.0 112.985 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 59.6 mt -65.85 -14.82 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.824 -0.548 . . . . 50.0 111.156 177.05 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -87.36 0.61 55.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 50.0 111.188 178.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 78.49 178.73 50.24 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 -178.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.5 20.6 4.99 Favored Glycine 0 C--O 1.217 -0.91 0 O-C-N 122.168 -0.607 . . . . 25.0 114.488 -177.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.89 9.57 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.425 0.631 . . . . 50.0 111.166 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.15 1.47 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.18 1.943 . . . . 25.0 110.809 178.675 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 123.801 1.762 . . . . 25.0 113.52 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 53.71 28.42 8.09 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.997 1.319 . . . . 50.0 113.557 -178.343 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.99 -28.05 62.03 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.115 1.154 . . . . 50.0 114.115 -175.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -76.3 -34.5 59.06 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.826 -0.546 . . . . 50.0 112.15 176.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 50.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 50.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 50.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 50.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 50.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 50.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 50.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 50.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 50.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 50.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 50.0 110.861 -177.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 50.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 50.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 50.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 50.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 50.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 50.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 50.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 50.0 110.517 178.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 50.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 50.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 50.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 50.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 50.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 50.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 50.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 50.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 50.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 50.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 50.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 50.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -58.35 -40.72 82.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -73.04 -31.48 64.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.003 0.372 . . . . 50.0 112.003 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.54 -46.95 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.761 -0.587 . . . . 50.0 110.186 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -69.35 -31.56 70.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 -178.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.7 tp -67.36 -39.49 85.72 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 116.398 -0.364 . . . . 50.0 110.958 176.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.81 91.46 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 -178.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -72.39 -37.39 68.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 50.0 110.506 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.68 -40.76 97.62 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.987 -0.445 . . . . 25.0 111.262 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -68.21 -35.22 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.87 -0.519 . . . . 50.0 110.333 178.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.21 67.68 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.201 -0.312 . . . . 25.0 110.657 176.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.87 -19.44 57.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.928 0.394 . . . . 25.0 110.654 176.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -96.41 -55.07 3.05 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 50.0 113.117 -177.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 49.23 34.43 6.14 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.185 0.994 . . . . 50.0 112.312 -176.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -121.67 29.74 7.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.493 0.663 . . . . 50.0 111.38 -173.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -121.01 80.12 1.6 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 122.378 1.085 . . . . 50.0 110.911 -176.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--O 1.206 -1.232 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 -177.901 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.74 26.78 13.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.131 1.372 . . . . 25.0 113.581 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.8 mtm -78.19 137.29 38.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.5 145.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -72.77 142.41 48.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 25.0 111.582 179.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.94 159.58 42.97 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.54 18.29 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.59 0.71 . . . . 50.0 109.99 177.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -68.86 150.41 47.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.718 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 43.1 mt 59.3 24.73 13.27 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 177.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.14 110.72 17.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.029 -0.419 . . . . 25.0 110.011 178.42 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.74 43.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 121.858 0.837 . . . . 25.0 111.376 -175.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.91 -0.33 57.29 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.8 mtt 54.89 -156.33 0.24 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.562 0.538 . . . . 50.0 111.672 -174.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.17 165.04 12.12 Favored Glycine 0 C--O 1.219 -0.784 0 N-CA-C 111.818 -0.513 . . . . 25.0 111.818 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -85.04 52.35 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.203 1.002 . . . . 50.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.0 p -115.23 41.08 2.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.306 -0.861 . . . . 25.0 108.75 -175.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.53 130.87 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.77 80.35 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.635 0.731 . . . . 25.0 111.91 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -97.94 -64.2 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 103.732 -2.692 . . . . 25.0 103.732 166.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.96 154.7 42.89 Favored 'Trans proline' 0 C--N 1.358 1.074 1 C-N-CA 111.839 -4.974 . . . . 25.0 110.044 163.377 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.39 60.22 50.96 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 113.378 0.881 . . . . 25.0 113.378 179.159 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.93 143.63 41.3 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 114.77 -3.02 . . . . 50.0 111.067 177.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.81 146.65 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 50.0 110.32 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 46.7 42.42 1.11 Allowed Pre-proline 0 CA--C 1.56 1.338 0 N-CA-C 116.035 1.865 . . . . 50.0 116.035 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.18 -4.86 7.72 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 114.94 -2.907 . . . . 25.0 114.925 -178.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 36.3 p -101.27 139.93 36.25 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -172.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.5 m 67.59 170.22 0.26 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.073 1.483 . . . . 25.0 114.826 176.041 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -130.45 120.59 18.95 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 105.019 -2.215 . . . . 50.0 105.019 178.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.33 123.35 7.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 117.664 -1.091 . . . . 50.0 114.318 -172.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.72 135.52 47.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.313 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 73.7 m -160.76 145.81 14.31 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.67 -169.06 54.81 Favored Glycine 0 N--CA 1.464 0.51 0 C-N-CA 120.603 -0.808 . . . . 50.0 113.571 175.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.11 164.72 29.1 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 CA-C-N 118.174 0.987 . . . . 50.0 110.685 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.12 -0.59 10.48 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 117.875 -0.95 . . . . 50.0 114.082 179.245 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.64 161.89 35.42 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.939 0.736 . . . . 25.0 114.939 178.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -168.69 -33.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.681 -0.26 . . . . 25.0 111.45 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 69.58 -169.01 0.17 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.176 1.39 . . . . 25.0 111.496 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.97 -168.56 18.17 Favored Glycine 0 C--O 1.228 -0.229 0 N-CA-C 112.358 -0.297 . . . . 25.0 112.358 -176.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.21 4.79 61.0 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 115.849 1.1 . . . . 25.0 115.849 178.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 46.0 p -86.96 56.57 4.07 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.474 0.916 . . . . 25.0 113.474 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -103.17 20.75 17.09 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.291 0.848 . . . . 50.0 113.291 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.6 134.52 43.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.541 0.941 . . . . 50.0 113.541 -173.318 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 29.2 m -157.67 160.03 37.56 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.3 145.28 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.87 128.66 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 106.121 -1.807 . . . . 50.0 106.121 178.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -111.91 0.06 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 25.0 111.774 -178.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 34.64 62.78 0.49 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.839 1.792 . . . . 50.0 115.839 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.77 46.06 3.61 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-N 115.203 -0.908 . . . . 25.0 112.265 -178.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.14 144.15 32.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 -176.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.51 -53.12 0.42 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 110.811 -0.915 . . . . 25.0 110.811 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.28 160.3 15.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.535 -0.913 . . . . 50.0 108.535 175.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.37 123.31 23.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.964 -0.384 . . . . 50.0 109.964 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.6 m 43.77 51.15 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 176.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.6 p -72.15 -5.98 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -175.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.05 168.34 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 121.407 -0.808 . . . . 50.0 112.618 -177.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 50.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 50.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 50.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 50.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 50.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 50.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 50.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.86 -36.86 85.32 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 50.0 109.881 177.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.9 -35.9 42.85 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -176.058 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.1 -17.3 64.62 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.732 -0.605 . . . . 50.0 110.789 179.004 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -76.84 -12.45 59.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.318 0.858 . . . . 50.0 113.318 176.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 75.82 -177.78 49.38 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.326 -0.94 . . . . 25.0 111.825 -178.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -118.33 34.11 4.56 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.5 p -102.58 1.78 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.37 0.605 . . . . 50.0 111.234 -176.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 52.12 47.41 24.81 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.187 -0.915 . . . . 25.0 112.766 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.487 1.425 0 C-N-CA 126.325 1.85 . . . . 25.0 111.857 -179.136 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mmm . . . . . 0 N--CA 1.518 2.965 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 61.73 -1.96 0.3 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.29 1.836 . . . . 50.0 115.415 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -54.48 -36.68 64.41 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 113.699 1.0 . . . . 50.0 113.699 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.65 -32.94 72.1 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.781 -0.574 . . . . 50.0 111.861 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 50.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 50.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 50.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 50.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 50.0 108.031 -179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 50.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 50.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 50.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 50.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 50.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 50.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 50.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 50.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 50.0 110.86 -179.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 50.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 50.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 50.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 50.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 50.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 50.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 50.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 50.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 50.0 110.576 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 50.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 50.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 50.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 50.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 50.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 50.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 50.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 50.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 50.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 50.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 50.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 50.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 50.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 50.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.56 -40.46 87.41 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.16 -30.18 66.13 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 120.66 -0.416 . . . . 50.0 111.748 178.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.71 -49.04 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.509 -0.745 . . . . 50.0 111.021 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -67.24 -30.5 70.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.629 0.728 . . . . 50.0 109.497 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.6 -39.79 84.75 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.909 -0.494 . . . . 50.0 109.783 176.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.197 0.453 . . . . 25.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -75.4 -33.59 60.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.005 0.431 . . . . 50.0 110.777 178.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.17 -37.14 78.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.194 -0.316 . . . . 25.0 110.495 175.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.17 -34.65 78.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.765 -0.457 . . . . 50.0 109.765 175.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -28.64 65.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 25.0 111.277 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.42 -21.99 57.77 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.966 0.412 . . . . 25.0 110.865 177.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.84 -52.65 3.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 -177.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 47.16 35.11 3.35 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.133 0.973 . . . . 50.0 113.298 -174.375 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -127.47 13.89 7.07 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.395 0.617 . . . . 50.0 111.543 -176.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -138.97 88.2 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.884 0.85 . . . . 50.0 110.961 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--O 1.207 -1.179 0 C-N-CA 125.261 1.424 . . . . 25.0 113.815 179.638 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 122.898 1.276 . . . . 25.0 114.92 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.57 97.81 Favored 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.56 -0.964 . . . . 25.0 111.584 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.8 ttm 52.17 32.93 11.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 177.06 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.07 149.4 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.539 -0.725 . . . . 25.0 109.736 177.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -119.84 41.98 3.03 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 122.134 0.969 . . . . 25.0 108.45 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.08 31.89 6.26 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -142.65 142.67 32.11 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.601 -0.687 . . . . 50.0 111.506 178.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.7 m -141.6 44.18 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.22 13.33 23.1 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.422 -170.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.17 18.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.699 0.285 . . . . 25.0 110.685 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.18 108.93 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 174.316 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.17 -1.19 56.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.553 0.692 . . . . 25.0 109.544 -178.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -136.74 160.48 38.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 53.77 4.74 Favored Glycine 0 C--N 1.321 -0.256 0 C-N-CA 121.13 -0.557 . . . . 25.0 112.228 176.285 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.14 64.94 3.41 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.394 1.092 . . . . 50.0 109.917 -176.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 37.1 p -96.39 -3.61 43.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.012 -173.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.41 126.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.69 150.72 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.306 0.3 OUTLIER 95.83 -29.76 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.42 0 N-CA-C 120.246 3.424 . . . . 25.0 120.246 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.33 62.79 8.52 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 115.843 -2.305 . . . . 25.0 113.569 179.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 65.46 169.6 0.1 Allowed Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.754 1.222 . . . . 25.0 110.916 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.75 148.36 77.2 Favored 'Trans proline' 0 C--N 1.349 0.579 1 C-N-CA 112.851 -4.299 . . . . 50.0 111.053 177.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.1 167.47 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.802 -0.635 . . . . 50.0 111.045 -175.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.324 14.3 pttt 91.35 -30.57 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 121.187 3.773 . . . . 50.0 121.187 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.91 104.08 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 112.516 -4.523 . . . . 25.0 112.056 175.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 24.98 3.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.342 0.591 . . . . 25.0 111.169 -173.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -88.09 93.38 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.289 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -71.14 153.64 94.32 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-O 120.768 0.318 . . . . 50.0 111.475 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.97 141.1 26.33 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 116.748 -1.701 . . . . 50.0 114.796 -178.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.3 t -76.88 -3.58 39.37 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.859 -0.525 . . . . 25.0 112.398 175.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.5 m 51.42 45.81 27.43 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.25 160.82 53.44 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.317 -0.944 . . . . 50.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.95 157.23 47.37 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 118.856 1.328 . . . . 50.0 112.236 -177.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -69.18 148.08 68.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.155 -1.43 . . . . 50.0 111.879 175.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -115.24 156.71 15.47 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.112 -1.195 . . . . 25.0 110.112 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -161.73 157.76 24.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.079 -2.934 . . . . 25.0 103.079 177.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.96 165.41 34.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 118.451 0.569 . . . . 25.0 110.401 -176.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -164.95 167.71 38.79 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.141 -1.984 . . . . 25.0 108.141 177.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.48 175.83 48.08 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 109.565 -1.414 . . . . 25.0 109.565 -176.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 t -154.06 122.31 6.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -142.57 82.51 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.539 -2.022 . . . . 50.0 105.539 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -153.87 159.22 41.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -176.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -160.44 162.64 33.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 105.37 -2.085 . . . . 25.0 105.37 -179.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.98 121.0 61.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.44 130.96 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.404 0.621 . . . . 50.0 110.823 -173.334 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.8 p -100.78 75.75 1.74 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 122.136 0.969 . . . . 25.0 111.69 178.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -125.4 35.24 4.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 114.484 -1.235 . . . . 50.0 110.32 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.14 40.78 3.07 Favored Glycine 0 CA--C 1.512 -0.124 0 CA-C-N 115.685 -0.689 . . . . 25.0 113.151 -176.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.3 p -133.0 137.3 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.396 0.617 . . . . 25.0 110.427 -178.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 119.27 73.61 0.41 Allowed Glycine 0 N--CA 1.464 0.565 0 C-N-CA 121.022 -0.609 . . . . 25.0 113.543 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.08 157.16 28.06 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 122.549 -0.383 . . . . 50.0 111.071 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 24.1 tp -145.15 130.94 19.05 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.747 -0.206 . . . . 50.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 37.2 p -132.13 91.44 2.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.08 0.467 . . . . 25.0 111.42 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -99.7 22.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.265 0.555 . . . . 25.0 110.056 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt -140.32 166.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.067 -1.086 . . . . 50.0 108.067 -179.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 50.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 50.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 50.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 50.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 50.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 50.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 50.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 50.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 50.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -65.01 -38.38 90.76 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 50.0 110.005 177.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.42 -22.78 60.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.559 0.948 . . . . 50.0 113.559 -177.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.2 -11.66 51.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.119 0.485 . . . . 50.0 111.053 177.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -91.61 -5.2 54.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.07 -0.513 . . . . 50.0 111.593 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.77 161.02 9.76 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-O 121.257 0.365 . . . . 25.0 112.417 179.098 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -135.16 26.67 3.22 Favored Glycine 0 C--O 1.219 -0.802 0 CA-C-N 115.365 -0.418 . . . . 25.0 112.181 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.2 p -91.16 -6.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 122.258 1.028 . . . . 50.0 112.235 -177.103 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -120.39 61.01 0.87 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 25.0 109.406 -178.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.208 -1.098 0 CA-C-O 125.153 2.406 . . . . 25.0 110.817 -178.742 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 123.848 1.785 . . . . 25.0 114.083 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 58.37 16.76 4.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 50.0 113.508 -178.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -53.18 -46.59 69.03 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.291 0.478 . . . . 50.0 112.291 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.61 -36.67 83.16 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.17 -0.956 . . . . 50.0 111.823 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 50.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 50.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 50.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 50.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 50.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 50.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 50.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 50.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 50.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 50.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 50.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 50.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 50.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 50.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 50.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 50.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 50.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 50.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 50.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 50.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 50.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 50.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 50.0 110.248 176.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 50.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 50.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 50.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 50.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 50.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 50.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 50.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 50.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 50.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 50.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 50.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 50.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.17 -42.7 81.61 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -68.18 -34.01 75.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.89 0.7 . . . . 50.0 112.89 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -69.77 -46.9 73.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.869 -0.332 . . . . 50.0 110.384 -178.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.55 -29.71 66.24 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.087 -0.645 . . . . 50.0 110.132 178.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.4 tp -65.43 -39.46 92.12 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.406 -0.361 . . . . 50.0 110.135 176.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.94 78.12 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 121.299 0.571 . . . . 25.0 109.971 178.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -76.81 -37.58 55.49 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.263 -0.426 . . . . 50.0 110.362 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -62.41 -40.62 97.13 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.057 0.456 . . . . 25.0 110.088 176.409 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.77 -38.25 86.21 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.56 -0.533 . . . . 50.0 109.56 178.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.95 71.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.874 0.369 . . . . 25.0 111.253 176.737 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -36.9 61.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.699 0.285 . . . . 25.0 110.443 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.54 -43.71 96.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 178.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -77.68 5.08 9.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.631 -1.168 . . . . 50.0 112.881 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.63 5.38 28.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.542 -0.724 . . . . 50.0 111.229 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -126.34 121.16 31.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.755 -1.572 . . . . 50.0 106.755 176.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.313 -1.012 0 CA-C-O 126.144 2.878 . . . . 25.0 111.237 -179.583 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.189 0 CA-C-O 121.901 0.723 . . . . 25.0 113.989 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.37 127.12 31.78 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.637 -0.919 . . . . 25.0 109.044 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.1 ttm -153.11 159.59 42.78 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -93.85 130.24 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 177.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -125.58 121.89 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.35 89.98 3.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -111.0 16.75 21.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.586 0.708 . . . . 50.0 110.504 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 m -127.14 154.01 45.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.2 24.05 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.65 125.13 15.69 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.73 104.9 10.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.141 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.63 64.81 8.24 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.529 0.68 . . . . 25.0 110.37 -175.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -136.38 157.98 45.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.517 -2.031 . . . . 50.0 105.517 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.3 111.36 0.43 Allowed Glycine 0 C--O 1.214 -1.119 0 C-N-CA 119.781 -1.2 . . . . 25.0 112.331 179.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -140.12 106.07 5.19 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.372 -2.085 . . . . 50.0 105.372 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 74.5 p -116.0 17.68 15.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.527 -1.215 . . . . 25.0 108.092 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.73 102.45 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 CA-C-O 121.879 0.847 . . . . 25.0 109.09 -177.419 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.86 107.71 2.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 176.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.458 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 0.7 OUTLIER -95.15 -21.25 0.23 Allowed Pre-proline 0 CA--C 1.558 1.267 0 N-CA-C 120.186 3.402 . . . . 25.0 120.186 -170.573 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.82 19.1 1.04 Allowed 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 114.953 -2.898 . . . . 25.0 114.529 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.52 52.08 12.02 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 178.713 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.23 152.5 39.76 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 114.644 -3.104 . . . . 50.0 111.679 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.39 139.76 55.82 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.809 -1.552 . . . . 50.0 106.809 171.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -60.5 -38.75 60.69 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 116.426 2.01 . . . . 50.0 116.426 -178.231 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.32 127.2 11.68 Favored 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 111.447 -5.236 . . . . 25.0 111.325 172.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.83 8.27 3.27 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -172.648 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.95 36.54 3.06 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.132 -0.98 . . . . 25.0 112.346 -176.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -138.37 89.44 13.98 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 120.839 0.352 . . . . 50.0 110.061 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.17 151.34 34.29 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 115.68 -2.413 . . . . 50.0 112.665 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 19.5 p -71.82 104.48 3.45 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 179.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 63.5 p -144.79 163.31 34.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -94.68 178.75 36.74 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.284 -0.726 . . . . 50.0 111.284 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.49 160.49 49.04 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-N 118.572 1.186 . . . . 50.0 111.679 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.86 41.19 0.88 Allowed 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 121.025 1.15 . . . . 50.0 114.258 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.61 177.7 50.39 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 110.726 -0.95 . . . . 25.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -129.7 19.02 5.66 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.964 0.411 . . . . 25.0 109.996 -179.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -92.26 132.76 36.43 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -173.289 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.56 149.08 8.19 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.105 173.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 166.09 156.49 9.45 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 117.627 0.714 . . . . 25.0 111.816 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.3 m -137.86 80.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -132.09 60.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.467 -0.788 . . . . 50.0 112.396 -174.309 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.72 158.22 43.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.352 0.596 . . . . 50.0 112.087 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.5 m -152.71 151.3 30.38 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 105.186 -2.153 . . . . 25.0 105.186 174.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 70.3 t -132.93 121.11 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 -179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.5 134.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.011 -1.477 . . . . 50.0 107.011 -177.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.91 122.78 3.9 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.401 -2.814 . . . . 25.0 103.401 175.677 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -126.98 9.41 6.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.43 -1.259 . . . . 50.0 112.17 -173.344 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.74 37.8 3.06 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.869 -0.605 . . . . 25.0 113.537 -176.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.06 140.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.387 0.613 . . . . 25.0 110.3 -175.044 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.41 -49.86 0.52 Allowed Glycine 0 N--CA 1.462 0.42 0 N-CA-C 111.316 -0.714 . . . . 25.0 111.316 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 56.26 -163.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.614 0.765 . . . . 50.0 112.543 177.133 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 18.3 tp -155.76 139.64 16.25 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -178.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 153' ' ' SER . . . . . 0.449 ' C ' ' H ' ' B' ' 155' ' ' ILE . 57.7 m 52.77 71.05 0.51 Allowed 'General case' 0 C--O 1.209 -1.041 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 175.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.34 26.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 173.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . 0.449 ' H ' ' C ' ' B' ' 153' ' ' SER . 27.7 pt -143.95 161.2 15.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 124.349 1.06 . . . . 50.0 108.757 178.75 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 50.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 50.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 50.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 50.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 50.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 50.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 50.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 50.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 50.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.55 -38.67 84.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 50.0 108.967 178.163 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mt -76.0 -21.7 56.61 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 114.042 1.127 . . . . 50.0 114.042 177.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.04 -14.08 59.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.585 0.707 . . . . 50.0 111.537 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -92.44 0.57 57.45 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.433 -0.803 . . . . 50.0 111.069 178.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -85.72 -169.23 45.72 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.108 -0.497 . . . . 25.0 112.958 -178.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 153.33 -57.74 0.42 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -177.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.05 2.08 7.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-O 121.773 0.797 . . . . 50.0 111.986 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -125.62 99.45 6.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.987 2.327 . . . . 25.0 111.976 179.97 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 123.478 1.609 . . . . 25.0 114.111 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.86 -25.08 67.03 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.236 -1.54 . . . . 50.0 109.412 175.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.47 -33.62 72.85 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.69 -0.686 . . . . 50.0 110.201 178.359 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -82.3 -36.17 27.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.018 -0.427 . . . . 50.0 112.052 175.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 50.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 50.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 50.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 50.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 50.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 50.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 50.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 50.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 50.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 50.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 50.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 50.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 50.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 50.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 50.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 50.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 50.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 50.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 50.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 50.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 50.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 50.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 50.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 50.0 111.091 178.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 50.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 50.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 50.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 50.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 50.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 50.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 50.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 50.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 50.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 50.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 50.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 50.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 50.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.65 -39.59 88.91 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -70.15 -27.73 64.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.616 0.599 . . . . 50.0 112.616 177.857 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.39 -48.35 67.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 118.957 0.798 . . . . 50.0 109.626 178.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.53 -32.35 68.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.087 -0.645 . . . . 50.0 109.842 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.67 -39.84 95.34 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 121.748 -0.595 . . . . 50.0 110.736 176.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.69 90.48 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 121.048 0.451 . . . . 25.0 109.851 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.92 -35.47 74.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 50.0 111.491 177.218 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.7 -37.06 79.24 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 121.795 -0.565 . . . . 25.0 110.894 176.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -37.49 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.528 -0.733 . . . . 50.0 110.044 176.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.53 76.99 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.31 70.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.632 . . . . 25.0 110.586 176.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.13 -58.25 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 50.0 111.954 -177.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 42.05 29.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 116.363 1.986 . . . . 50.0 116.363 -174.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -144.26 29.51 1.3 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.686 0.995 . . . . 50.0 113.686 -175.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.91 80.8 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.824 0.821 . . . . 50.0 108.942 174.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.5 tm0? . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 123.306 1.527 . . . . 25.0 112.684 -176.458 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.633 0 CA-C-O 123.986 1.881 . . . . 25.0 111.846 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.8 -5.87 44.18 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 111.438 -2.381 . . . . 25.0 109.737 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 8.9 ttt 61.74 30.13 18.29 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.579 -1.191 . . . . 25.0 112.457 -176.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.64 110.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 175.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -149.69 166.47 29.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.192 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.94 151.46 38.68 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 177.072 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.43 -14.54 14.64 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.805 0.668 . . . . 50.0 112.805 -178.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -157.01 47.8 0.43 Allowed 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.099 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt 62.35 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.905 1.817 . . . . 25.0 115.905 -176.029 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.93 48.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.401 -0.812 . . . . 25.0 110.965 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.04 56.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.501 0.72 . . . . 25.0 112.078 -178.177 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.73 -168.11 0.19 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.543 -178.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 17.8 ptp -162.59 169.33 20.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.356 -1.72 . . . . 50.0 106.356 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.52 18.86 22.24 Favored Glycine 0 C--O 1.216 -1.016 0 C-N-CA 121.419 -0.419 . . . . 25.0 113.576 176.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.02 -28.47 69.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 -178.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 63.2 p 49.43 33.63 5.76 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.08 124.84 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.646 0.736 . . . . 25.0 112.137 178.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.18 128.6 35.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-N 114.685 -1.143 . . . . 25.0 108.494 175.684 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 97.71 -63.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.476 0 C-N-CA 127.486 2.314 . . . . 25.0 117.246 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.43 -65.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 113.212 -4.059 . . . . 25.0 118.436 -170.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.94 98.44 1.19 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -173.077 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.42 17.99 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.54 1.493 . . . . 50.0 115.904 176.535 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.15 168.69 26.18 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 -175.431 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 21.5 tttm 69.15 19.26 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.044 0 N-CA-C 119.898 3.295 . . . . 50.0 119.898 179.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.11 157.99 56.81 Favored 'Trans proline' 0 C--N 1.361 1.212 1 C-N-CA 112.237 -4.708 . . . . 25.0 111.743 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -116.38 107.8 15.26 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -148.17 72.93 1.23 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.303 -176.22 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.34 124.87 90.83 Favored Pre-proline 0 N--CA 1.475 0.806 0 N-CA-C 109.176 -0.676 . . . . 50.0 109.176 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -77.98 153.34 28.88 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 117.255 -1.364 . . . . 50.0 113.09 -176.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.56 139.23 49.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 177.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 49.8 m -96.94 147.8 23.6 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.075 -0.512 . . . . 25.0 110.395 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.86 177.65 29.23 Favored Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 110.227 -1.149 . . . . 50.0 110.227 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -69.48 147.17 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 117.065 -1.49 . . . . 50.0 111.684 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.31 123.69 8.91 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 117.365 -1.29 . . . . 50.0 114.839 -176.065 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -81.3 -25.1 55.65 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.339 -0.934 . . . . 25.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 57.69 -163.87 0.18 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.036 0.934 . . . . 25.0 111.324 178.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -155.01 156.04 35.24 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 -176.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -174.12 -169.49 36.34 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 107.073 -2.411 . . . . 25.0 107.073 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.41 167.35 40.42 Favored Glycine 0 CA--C 1.505 -0.551 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.355 176.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 40.4 m -141.48 99.92 3.67 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.691 0.396 . . . . 25.0 110.122 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.06 70.68 1.44 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.772 -0.825 . . . . 50.0 108.772 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.6 mt -127.92 144.11 51.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.471 -1.241 . . . . 50.0 107.924 -175.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 25.6 t -146.87 152.57 38.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 103.963 -2.606 . . . . 25.0 103.963 178.333 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -79.45 132.11 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -179.104 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.4 124.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 50.0 109.837 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.7 t -121.69 -6.73 9.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.433 0.635 . . . . 25.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.91 27.78 9.13 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.877 -1.056 . . . . 50.0 110.279 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.39 41.02 3.02 Favored Glycine 0 N--CA 1.463 0.447 0 C-N-CA 121.292 -0.48 . . . . 25.0 112.244 -179.624 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.49 137.76 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -175.116 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.41 60.11 1.4 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 121.073 -0.584 . . . . 25.0 113.891 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.21 149.54 47.69 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.321 -0.517 . . . . 50.0 111.378 178.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 60.8 tp -136.87 132.9 35.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.862 -0.422 . . . . 50.0 109.862 179.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.2 p -84.83 63.83 8.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.319 0.648 . . . . 25.0 110.044 177.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.76 10.49 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 122.133 0.968 . . . . 25.0 112.112 -178.251 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt -129.7 169.4 20.88 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 C-N-CA 123.767 0.827 . . . . 50.0 111.045 -175.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 50.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 50.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 50.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 50.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 50.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 50.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 50.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 50.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 50.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 50.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.57 -39.67 84.88 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 50.0 110.329 175.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -38.38 61.82 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.862 1.43 . . . . 50.0 114.862 -177.105 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.97 -21.6 64.95 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.65 0.738 . . . . 50.0 110.909 179.489 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -70.78 -31.0 67.64 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 113.145 0.795 . . . . 50.0 113.145 177.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.97 14.63 53.59 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.26 0.864 . . . . 25.0 115.26 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.11 17.1 41.64 Favored Glycine 0 C--O 1.216 -1.022 0 N-CA-C 115.346 0.898 . . . . 25.0 115.346 -173.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.17 -7.87 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.994 0.902 . . . . 50.0 112.188 -176.562 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.46 105.78 13.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.038 0.923 . . . . 25.0 109.471 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.546 0.802 0 CA-C-O 124.533 2.111 . . . . 25.0 111.638 178.679 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 125.75 2.691 . . . . 25.0 116.444 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.26 -11.22 41.54 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.233 -2.167 . . . . 50.0 112.557 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.24 -22.42 61.07 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 115.531 1.678 . . . . 50.0 115.531 -171.547 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.47 -31.97 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.442 -0.786 . . . . 50.0 111.583 177.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 50.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 50.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 50.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 50.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 50.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 50.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 50.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 50.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 50.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 50.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 50.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 50.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 50.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 50.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 50.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 50.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 50.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 50.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 50.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 50.0 111.751 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 50.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 50.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 50.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 50.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 50.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 50.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 50.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 50.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 50.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 50.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 50.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 50.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.53 -39.45 80.2 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.24 -33.77 70.15 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.733 -0.387 . . . . 50.0 111.784 178.05 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -71.95 -43.53 67.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 CA-C-N 118.852 0.751 . . . . 50.0 111.297 -179.2 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.63 -31.31 70.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 119.65 -0.82 . . . . 50.0 109.314 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.52 -40.74 85.09 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 116.031 -0.531 . . . . 50.0 110.025 176.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.21 92.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 119.058 0.844 . . . . 25.0 110.787 179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.75 -36.02 79.78 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.739 -0.601 . . . . 50.0 110.202 176.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.06 -38.38 85.69 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.035 -0.416 . . . . 25.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.72 -35.37 78.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.112 -0.368 . . . . 50.0 110.486 176.645 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.47 78.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 123.019 0.528 . . . . 25.0 109.896 177.315 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.45 -23.65 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.583 178.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.39 -63.09 1.34 Allowed 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.752 0.649 . . . . 50.0 112.752 -178.652 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 43.74 36.06 1.2 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.309 1.044 . . . . 50.0 113.767 -176.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -146.15 84.39 1.64 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.014 -0.539 . . . . 50.0 110.976 -176.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -84.14 73.69 10.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.056 0.931 . . . . 50.0 110.047 -179.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 . . . . . 0 C--O 1.207 -1.174 0 CA-C-O 124.483 2.087 . . . . 25.0 110.693 -179.984 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 124.52 2.178 . . . . 25.0 112.973 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.89 -28.73 68.55 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 113.808 -1.196 . . . . 25.0 112.241 -176.523 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 91.2 mtp 47.69 46.62 18.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 176.254 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.81 126.45 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 -178.118 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -123.68 147.85 47.06 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 177.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.31 145.17 40.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 103.432 -2.803 . . . . 25.0 103.432 171.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -123.71 22.28 9.05 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.448 0.906 . . . . 50.0 113.448 -171.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 51.0 m -83.23 155.99 23.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 109.902 -178.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 66.6 tp -72.59 122.68 21.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 178.395 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.04 126.24 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.2 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.48 33.77 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.43 132.97 11.12 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.4 mtm -115.45 11.53 16.01 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.463 0.477 . . . . 50.0 111.31 -177.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.83 25.96 43.61 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-O 122.157 0.865 . . . . 25.0 112.68 -178.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.55 -25.21 67.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.862 0.865 . . . . 50.0 113.121 -176.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p 45.21 41.77 6.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.922 1.452 . . . . 25.0 114.922 177.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.81 123.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.534 -0.757 . . . . 25.0 110.814 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -148.23 129.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 175.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.51 -51.27 3.26 Favored Pre-proline 0 N--CA 1.475 0.776 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.73 -176.432 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.3 166.05 28.29 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.952 -3.565 . . . . 25.0 111.258 174.608 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.92 100.91 16.07 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 122.098 -0.376 . . . . 25.0 111.03 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -67.99 144.8 65.47 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 116.119 -2.121 . . . . 50.0 110.47 176.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.7 161.6 41.48 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 115.343 1.608 . . . . 50.0 115.343 -177.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 97.89 -52.16 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 120.045 3.35 . . . . 50.0 120.045 170.365 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.19 -47.95 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 1 C-N-CA 112.017 -4.856 . . . . 25.0 116.853 -175.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.4 p -145.33 157.09 44.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 -178.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 72.2 m -158.44 68.79 0.48 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.261 0.624 . . . . 25.0 111.476 177.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -133.2 155.84 80.52 Favored Pre-proline 0 N--CA 1.475 0.78 0 O-C-N 122.203 -0.311 . . . . 50.0 110.377 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 167.0 26.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 118.557 -0.496 . . . . 50.0 112.633 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -120.72 177.05 5.23 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 9.5 t -120.86 177.65 5.02 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 120.973 0.416 . . . . 25.0 109.897 -178.483 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.73 -172.57 23.4 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.433 -1.067 . . . . 50.0 110.433 -179.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.97 155.97 66.82 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 119.645 1.722 . . . . 50.0 112.165 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 8.95 3.7 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 121.509 1.473 . . . . 50.0 115.859 -177.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 100.54 -169.57 21.49 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -92.65 142.91 26.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.222 -0.658 . . . . 25.0 109.222 -179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.88 131.98 52.42 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.48 179.71 48.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 179.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.39 165.67 20.93 Favored Glycine 0 CA--C 1.5 -0.853 0 CA-C-N 118.276 1.038 . . . . 25.0 112.002 179.394 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.4 m -108.39 46.8 0.94 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.302 0.573 . . . . 25.0 111.247 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.5 43.37 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.974 -1.491 . . . . 50.0 106.974 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.31 134.12 41.12 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.758 1.021 . . . . 50.0 113.758 -172.111 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 78.9 p -140.22 95.55 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.93 136.29 23.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.282 0.563 . . . . 25.0 109.882 -171.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.84 133.26 32.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.879 -0.601 . . . . 50.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.4 t -121.89 -0.25 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.391 0.615 . . . . 25.0 110.098 179.298 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 52.27 27.06 4.41 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 114.324 -1.307 . . . . 50.0 113.597 176.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.7 67.22 0.4 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.118 -2.393 . . . . 25.0 107.118 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.08 112.28 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 122.131 -0.629 . . . . 25.0 111.657 -177.418 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.72 80.29 0.05 OUTLIER Glycine 0 C--N 1.314 -0.652 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.95 -158.42 0.33 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.219 0.452 . . . . 50.0 112.219 -176.556 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 62.0 tp -142.88 -41.36 0.32 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.937 0.347 . . . . 50.0 111.937 -179.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 153' ' ' SER . . . . . 0.402 ' C ' ' H ' ' B' ' 155' ' ' ILE . 6.9 m 49.09 72.63 0.28 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.124 0.964 . . . . 25.0 113.406 178.033 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.52 41.88 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.939 170.081 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . 0.402 ' H ' ' C ' ' B' ' 153' ' ' SER . 32.1 pt -141.93 166.12 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.734 1.213 . . . . 50.0 109.285 -178.724 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 50.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 50.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 50.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 50.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 50.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 50.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 50.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 50.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . 0.471 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.56 -39.97 88.77 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 50.0 110.376 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.4 mp -75.7 -24.59 56.25 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.796 1.036 . . . . 50.0 113.796 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.51 -15.18 57.14 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.347 0.594 . . . . 50.0 111.376 175.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -91.88 -0.01 57.49 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 123.381 0.672 . . . . 50.0 112.482 -177.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -71.74 167.05 52.79 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 111.965 -0.454 . . . . 25.0 111.965 178.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 135.08 -59.96 0.65 Allowed Glycine 0 C--O 1.226 -0.345 0 CA-C-O 119.514 -0.603 . . . . 25.0 112.515 -178.317 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.6 m -125.38 21.37 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 117.885 0.842 . . . . 50.0 112.342 -177.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -76.64 86.38 3.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.223 178.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 125.397 2.523 . . . . 25.0 112.767 178.757 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.195 1.474 . . . . 25.0 112.742 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -68.05 -19.74 64.91 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.016 -1.052 . . . . 50.0 108.935 173.663 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.62 -33.18 67.99 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 114.689 -1.142 . . . . 50.0 111.472 177.188 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.54 -36.87 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.659 -0.651 . . . . 50.0 110.987 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 50.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 50.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 50.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 50.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 50.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 50.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 50.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 50.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 50.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' HH ' HG12 ' B' ' 171' ' ' VAL . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 50.0 111.669 178.678 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 50.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 50.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 50.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 50.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 50.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 50.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 50.0 111.075 178.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 50.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 50.0 109.789 -178.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 50.0 111.191 176.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 50.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 50.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 50.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 50.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 50.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 50.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 50.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 50.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 50.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 50.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 50.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 50.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 50.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.72 -38.68 85.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -67.54 -33.75 75.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.171 -0.33 . . . . 50.0 111.386 177.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.78 -47.15 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.798 -0.564 . . . . 50.0 111.629 -178.463 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.25 -32.56 73.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.098 -0.704 . . . . 50.0 109.098 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.67 -39.86 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.054 -0.521 . . . . 50.0 110.51 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.0 92.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.981 0.42 . . . . 25.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -68.72 -39.33 80.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.509 . . . . 50.0 109.989 177.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -64.15 -40.76 96.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.149 -0.345 . . . . 25.0 110.521 177.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -64.93 -34.35 78.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.028 -0.42 . . . . 50.0 111.704 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.8 68.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.702 0.287 . . . . 25.0 110.935 178.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.11 -32.47 59.2 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 176.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.46 -51.82 12.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.693 0.627 . . . . 50.0 112.693 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 44.05 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.329 1.061 . . . . 50.0 112.734 -175.319 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -119.14 15.16 13.19 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 115.507 -0.77 . . . . 50.0 111.604 -177.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 53.19 47.73 23.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 123.505 1.621 . . . . 50.0 108.913 -176.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.854 0 CA-C-O 125.417 2.532 . . . . 25.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 122.667 1.148 . . . . 25.0 115.254 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -159.27 178.31 10.11 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -179.471 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 62.1 mtt -133.77 148.64 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 176.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.93 118.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 104.913 -2.254 . . . . 25.0 104.913 173.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -79.68 156.69 27.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.474 0.654 . . . . 25.0 111.457 -176.287 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.22 161.7 29.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 176.733 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -137.95 147.64 44.5 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.927 -0.768 . . . . 50.0 108.927 177.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 42.4 p 60.53 168.59 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.871 1.357 . . . . 25.0 113.073 -175.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.8 mt -141.63 168.86 18.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 -178.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.0 48.02 0.57 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.7 117.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.004 -1.85 . . . . 25.0 106.004 177.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.12 164.41 35.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 -177.04 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 4.3 ttp 62.44 -179.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.335 1.022 . . . . 50.0 111.711 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -27.91 10.25 Favored Glycine 0 C--O 1.219 -0.817 0 O-C-N 122.109 -0.369 . . . . 25.0 112.626 -176.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.78 -29.88 55.32 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -176.37 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 28.94 5.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.067 -176.637 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 20.9 t -121.21 132.87 69.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 50.4 t -114.65 118.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -171.107 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.319 0.9 OUTLIER 77.63 -11.95 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 1 N-CA-C 125.09 5.219 . . . . 25.0 125.09 171.717 . . . . . . . . 4 3 . 1 . 034 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.36 140.52 37.0 Favored 'Trans proline' 0 C--N 1.356 0.966 1 C-N-CA 110.679 -5.747 . . . . 25.0 112.276 176.508 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.78 124.47 26.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.91 155.47 34.25 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 116.437 -1.909 . . . . 50.0 111.627 175.76 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.47 51.56 0.35 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.077 1.14 . . . . 50.0 114.077 179.594 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . 0.404 ' C ' ' H ' ' B' ' 126' ' ' THR . 15.5 tptp 60.57 25.61 0.04 OUTLIER Pre-proline 0 CA--C 1.57 1.72 0 N-CA-C 121.677 3.955 . . . . 50.0 121.677 176.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -84.62 25.68 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 116.171 -2.086 . . . . 25.0 112.267 167.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 126' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 124' ' ' LYS . 0.6 OUTLIER -61.55 136.5 58.04 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -169.85 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 m 64.35 54.29 1.57 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 118.239 2.681 . . . . 25.0 118.239 171.131 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -87.34 110.27 32.44 Favored Pre-proline 0 CA--C 1.545 0.784 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 169.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.35 148.29 18.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.26 -2.026 . . . . 50.0 113.348 -177.417 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.7 t -74.47 -15.31 60.9 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.779 -0.575 . . . . 25.0 111.235 177.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.6 m 54.18 -159.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -178.22 169.09 40.7 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.475 -0.869 . . . . 50.0 113.027 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.2 166.8 20.29 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.553 2.169 . . . . 50.0 112.873 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.16 54.28 4.57 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 120.98 1.12 . . . . 50.0 112.681 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.19 -83.64 1.08 Allowed Glycine 0 C--O 1.218 -0.876 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.0 39.53 19.11 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.168 1.173 . . . . 25.0 114.168 178.199 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.26 98.24 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.03 -0.419 . . . . 25.0 111.035 -176.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.02 175.94 46.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 110.279 -1.129 . . . . 25.0 110.279 178.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.11 -147.19 16.42 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.819 -0.912 . . . . 25.0 110.819 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.4 m 55.25 37.63 29.19 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 25.0 115.207 176.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.4 tp -129.85 44.97 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.107 0.956 . . . . 50.0 108.611 177.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.98 161.55 42.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.879 . . . . 50.0 108.803 -177.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -146.6 152.69 39.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 177.04 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.72 160.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 25.0 109.322 -178.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.98 123.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.6 t -129.44 2.65 5.08 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.704 0.764 . . . . 25.0 111.484 -176.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.99 52.68 14.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.868 1.318 . . . . 50.0 113.143 177.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -117.28 46.16 1.18 Allowed Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 109.433 -1.467 . . . . 25.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.52 130.07 36.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.986 0.422 . . . . 25.0 109.895 -175.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.12 48.8 0.95 Allowed Glycine 0 C--O 1.228 -0.278 0 N-CA-C 114.087 0.395 . . . . 25.0 114.087 -177.379 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -72.21 153.2 41.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 176.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.68 -103.26 0.17 Allowed 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.952 0.406 . . . . 50.0 111.278 -178.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 62.7 p -139.24 104.11 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.473 -0.767 . . . . 25.0 110.998 -177.16 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.9 p -88.57 12.23 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.393 1.092 . . . . 25.0 109.128 177.163 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt -137.34 165.59 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.805 -1.088 . . . . 50.0 109.044 -178.073 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 50.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 50.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 50.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 50.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 50.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 50.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 50.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 50.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . 0.471 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 50.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 50.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . 0.482 HG12 ' HH ' ' A' ' 22' ' ' TYR . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt -62.32 -40.7 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 50.0 110.235 177.161 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.38 -30.17 47.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.429 1.64 . . . . 50.0 115.429 -178.196 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.46 -16.37 64.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.813 0.816 . . . . 50.0 109.913 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -79.34 0.33 29.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.213 -0.903 . . . . 50.0 112.69 175.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -155.92 -96.13 0.12 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.162 -1.018 . . . . 25.0 115.584 -177.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 94.87 -59.67 1.74 Allowed Glycine 0 C--O 1.219 -0.83 0 N-CA-C 111.397 -0.681 . . . . 25.0 111.397 -175.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.7 m -111.34 0.35 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 122.327 1.061 . . . . 50.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.59 77.56 9.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.856 -1.066 . . . . 25.0 110.133 -179.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 124.202 1.953 . . . . 25.0 111.908 179.814 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 mtm . . . . . 0 N--CA 1.502 2.16 0 CA-C-O 123.618 1.675 . . . . 25.0 114.36 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -70.32 127.83 34.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.089 -1.078 . . . . 50.0 108.089 178.412 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -57.76 -25.32 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.045 0.757 . . . . 50.0 113.045 -176.662 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.6 -28.81 63.97 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.114 -0.991 . . . . 50.0 112.262 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 50.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 50.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 50.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 50.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 50.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 50.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 50.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 50.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 50.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 50.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 50.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 50.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 50.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 50.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 50.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 50.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 50.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 50.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 50.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 50.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 50.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 50.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 50.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 50.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 50.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 50.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 50.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 50.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 50.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 50.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 50.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 50.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 50.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 50.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -59.13 -39.05 81.13 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -69.62 -32.22 70.79 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 112.294 0.479 . . . . 50.0 112.294 178.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -71.76 -50.15 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 110.12 -0.326 . . . . 50.0 110.12 -178.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.21 -34.38 77.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.076 0.465 . . . . 50.0 110.091 179.2 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.89 -44.1 94.01 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.983 -0.553 . . . . 50.0 110.72 175.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.11 92.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.01 -42.49 99.85 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.842 0.353 . . . . 50.0 110.333 177.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.49 -41.71 92.98 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 122.076 -0.39 . . . . 25.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -66.47 -34.12 77.21 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.289 -0.882 . . . . 50.0 111.631 179.374 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.36 73.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 122.36 -0.213 . . . . 25.0 110.638 176.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.55 44.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.821 176.583 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.33 -51.04 33.03 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 -176.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 43.73 38.75 2.14 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.934 1.087 . . . . 50.0 113.934 -176.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -131.81 18.02 4.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.583 -0.735 . . . . 50.0 110.622 -179.406 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 45.43 48.68 10.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.943 -1.026 . . . . 50.0 113.434 -177.098 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.202 -1.441 0 CA-C-O 122.608 1.194 . . . . 25.0 110.206 178.365 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.07 -39.68 0.54 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.327 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 60.4 mtm 54.49 60.15 3.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 179.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.75 147.19 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.758 -178.147 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -85.44 130.4 34.59 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.58 163.96 16.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 175.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.06 -2.19 14.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.811 -0.631 . . . . 50.0 110.657 172.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m 44.46 50.83 8.03 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 115.96 1.837 . . . . 25.0 115.96 175.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -73.46 122.8 22.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -177.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -160.93 104.02 1.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.298 -0.865 . . . . 25.0 109.509 177.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.27 130.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -179.393 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.08 47.82 2.48 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -176.868 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 61.56 -168.46 0.18 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.4 1.08 . . . . 50.0 109.958 -174.043 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.78 -23.52 2.31 Favored Glycine 0 C--O 1.211 -1.302 0 CA-C-O 122.25 0.916 . . . . 25.0 113.39 -174.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -66.29 -32.7 74.27 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.535 0.939 . . . . 50.0 113.535 -176.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t 31.67 56.3 0.3 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 115.197 1.554 . . . . 25.0 115.197 175.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.88 107.08 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -173.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.94 121.17 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 105.08 -2.192 . . . . 25.0 105.08 173.133 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.08 -48.5 6.0 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.14 97.04 0.9 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 115.837 -2.308 . . . . 25.0 112.089 175.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.66 42.68 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.831 -1.174 . . . . 25.0 107.831 -175.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.61 147.51 63.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 116.134 -2.111 . . . . 50.0 111.705 177.531 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.78 145.55 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.745 1.017 . . . . 50.0 113.745 -175.029 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 70.7 tttt 52.32 61.16 12.36 Favored Pre-proline 0 N--CA 1.48 1.038 0 N-CA-C 115.441 1.645 . . . . 50.0 115.441 175.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.65 152.64 74.38 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 116.223 -2.051 . . . . 25.0 110.847 170.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 41.0 p -133.71 65.65 1.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.901 -0.499 . . . . 25.0 110.55 -177.21 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -141.09 52.27 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.7 97.31 21.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 120.486 0.184 . . . . 50.0 111.338 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -84.03 119.28 2.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 N-CA-C 115.579 1.338 . . . . 50.0 115.579 -176.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.9 t -153.99 158.31 40.41 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.461 -0.775 . . . . 25.0 109.101 172.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -155.56 18.95 0.4 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.9 0.381 . . . . 25.0 110.614 178.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.53 -169.41 54.92 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.116 -0.824 . . . . 50.0 111.398 -177.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.51 153.87 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 119.376 1.588 . . . . 50.0 111.507 179.266 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.13 12.9 1.39 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 116.534 1.705 . . . . 50.0 116.534 -178.416 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.34 20.3 78.12 Favored Glycine 0 N--CA 1.465 0.595 0 O-C-N 121.743 -0.598 . . . . 25.0 114.282 177.147 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.17 47.18 0.77 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -176.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -124.25 129.44 50.78 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 121.307 0.575 . . . . 25.0 110.447 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.14 167.89 37.34 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 177.039 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.81 136.6 2.13 Favored Glycine 0 CA--C 1.508 -0.386 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 45.3 m -152.02 85.77 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 179.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 36.0 tp -141.95 85.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.613 -0.514 . . . . 50.0 109.613 -175.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.19 167.83 29.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.385 -0.37 . . . . 50.0 110.192 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.4 p -147.17 160.47 42.41 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 102.104 -3.295 . . . . 25.0 102.104 171.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.07 125.22 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -178.189 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -76.67 120.94 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.349 -0.982 . . . . 50.0 108.349 -175.533 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -129.4 -0.38 5.04 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.089 0.947 . . . . 25.0 109.824 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 44.44 27.46 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 117.388 2.366 . . . . 50.0 117.388 178.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.39 29.14 5.82 Favored Glycine 0 CA--C 1.517 0.196 0 O-C-N 120.986 -1.071 . . . . 25.0 113.335 178.267 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.49 137.88 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 121.847 0.832 . . . . 25.0 109.886 -177.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.24 71.31 1.24 Allowed Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.552 -0.619 . . . . 25.0 111.552 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.34 -30.99 31.25 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.564 0.949 . . . . 50.0 113.564 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp 50.6 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.98 1.845 . . . . 50.0 115.98 177.007 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 70.9 m -131.03 88.73 2.64 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.2 p -73.86 -2.72 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 122.139 0.971 . . . . 25.0 110.351 179.469 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.06 171.65 2.06 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-N 115.34 -0.845 . . . . 50.0 109.213 177.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 50.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 50.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 50.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 50.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 50.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 50.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 50.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.54 -38.94 67.86 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 176.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -21.42 62.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.503 0.927 . . . . 50.0 113.503 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.33 -17.38 58.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 120.332 -0.547 . . . . 50.0 110.521 174.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -99.28 3.2 46.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.087 0.773 . . . . 50.0 113.087 -176.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.1 49.94 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 109.945 -1.262 . . . . 25.0 109.945 -176.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -133.14 41.7 1.45 Allowed Glycine 0 C--O 1.209 -1.416 0 N-CA-C 111.295 -0.722 . . . . 25.0 111.295 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.35 34.4 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.575 0 CA-C-O 121.79 0.805 . . . . 50.0 111.697 -176.221 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 50.42 78.0 0.11 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 177.197 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 125.236 2.446 . . . . 25.0 113.682 178.253 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 126.75 3.167 . . . . 25.0 113.964 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.32 8.93 41.64 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 119.742 -1.849 . . . . 50.0 113.921 -174.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.45 -43.98 72.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.942 -0.303 . . . . 50.0 111.058 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -69.91 -33.54 72.32 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.767 -0.583 . . . . 50.0 112.32 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 50.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 50.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 50.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 50.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 50.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 50.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 50.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 50.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 50.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 50.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 50.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 50.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 50.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 50.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 50.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 50.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 50.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 50.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 50.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 50.0 110.967 177.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 50.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 50.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 50.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 50.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 50.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 50.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 50.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 50.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 50.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 50.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 50.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 50.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.76 -41.04 85.63 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -68.91 -32.72 72.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.139 0.422 . . . . 50.0 112.139 178.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.57 -46.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.003 -0.435 . . . . 50.0 110.083 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -71.26 -30.05 65.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.218 -0.66 . . . . 50.0 109.218 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.7 -38.51 89.43 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 116.061 -0.518 . . . . 50.0 110.056 175.272 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.13 97.24 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.941 -0.474 . . . . 25.0 109.764 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.09 -39.47 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.462 . . . . 50.0 110.874 175.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.1 -36.37 81.8 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.05 -0.407 . . . . 25.0 111.805 178.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.579 . . . . 50.0 109.438 173.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.96 -21.4 62.34 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 122.719 0.408 . . . . 25.0 111.12 178.079 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.89 44.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.296 0.569 . . . . 25.0 109.751 175.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.67 -50.11 5.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.119 0.785 . . . . 50.0 113.119 -176.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 47.14 39.79 8.82 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.346 -1.297 . . . . 50.0 113.42 -176.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -133.1 19.23 4.07 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 121.316 0.579 . . . . 50.0 112.048 179.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.92 125.61 19.35 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 176.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 123.689 1.709 . . . . 25.0 112.016 -175.72 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.462 0 CA-C-O 124.511 2.173 . . . . 25.0 113.673 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.59 -144.71 0.62 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 111.012 -2.594 . . . . 25.0 110.231 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 49.8 tpp -137.72 143.43 41.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.99 136.48 60.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.793 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 177.54 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -132.54 134.59 45.17 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 -177.501 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.06 58.89 4.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.98 0.512 . . . . 25.0 111.866 -174.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -63.32 126.22 26.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 50.0 111.047 -175.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t -74.21 125.01 27.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 173.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.41 29.9 5.92 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 177.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.28 77.75 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.474 -0.785 . . . . 25.0 113.051 -176.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t 37.42 56.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.07 148.13 26.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.396 179.149 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.2 mtm -109.59 85.54 2.12 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 122.357 -0.214 . . . . 50.0 110.493 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.64 21.83 67.43 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 114.063 0.385 . . . . 25.0 114.063 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.04 -49.9 26.07 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.823 0.82 . . . . 50.0 112.378 -175.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 82.3 p -113.14 7.74 18.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.86 -0.525 . . . . 25.0 111.298 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.01 133.75 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.361 0.601 . . . . 25.0 110.85 -172.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.1 89.37 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.02 -48.71 78.14 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -84.61 12.21 3.12 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 116.344 -1.971 . . . . 25.0 117.199 -177.627 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.93 47.81 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 115.327 1.602 . . . . 25.0 115.327 -178.08 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.24 147.92 43.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 114.055 -3.497 . . . . 50.0 111.449 -177.064 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.09 153.18 35.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.584 -0.735 . . . . 50.0 110.283 -178.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.275 40.0 ttmt 71.12 -95.6 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 CA-C-O 116.831 -1.557 . . . . 50.0 110.537 -175.125 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 147.42 53.07 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 108.388 -7.275 . . . . 25.0 110.709 171.804 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.3 p -120.27 13.86 12.02 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 122.067 -0.396 . . . . 25.0 111.676 -175.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 31.8 m -139.86 150.44 44.65 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.27 156.98 91.05 Favored Pre-proline 0 C--N 1.321 -0.637 0 O-C-N 123.767 0.667 . . . . 50.0 109.413 178.224 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.55 133.94 27.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 116.899 -1.601 . . . . 50.0 112.164 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.8 t -150.07 160.51 43.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 p -153.56 42.87 0.57 Allowed 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -179.331 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.33 176.12 41.64 Favored Glycine 0 CA--C 1.524 0.641 0 O-C-N 121.165 -0.96 . . . . 50.0 114.439 178.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.02 163.51 30.79 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 121.566 1.51 . . . . 50.0 111.594 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.15 160.61 32.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 N-CA-C 113.968 0.718 . . . . 50.0 113.968 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.01 60.58 0.44 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.023 -0.535 . . . . 25.0 114.111 179.179 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.63 119.72 30.29 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.604 -0.35 . . . . 25.0 110.297 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -139.62 152.82 47.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.229 0.538 . . . . 25.0 110.374 -177.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.02 171.65 44.0 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 108.484 -1.846 . . . . 25.0 108.484 176.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.4 3.23 89.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.045 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 51.8 p -138.25 68.66 1.39 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.323 0.649 . . . . 25.0 111.625 -174.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -99.23 -1.48 39.05 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 113.533 0.938 . . . . 50.0 113.533 -176.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 mt 63.07 158.71 0.07 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.999 1.72 . . . . 50.0 114.087 178.485 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.9 m -156.48 154.01 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -89.33 129.26 40.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 177.228 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.76 118.25 15.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 N-CA-C 106.719 -1.585 . . . . 50.0 106.719 178.003 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.8 t -131.07 -4.85 3.92 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -176.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.39 40.8 4.04 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 114.116 -1.402 . . . . 50.0 113.865 177.046 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.32 17.29 48.83 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.578 -0.737 . . . . 25.0 113.85 -174.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -146.43 139.4 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 179.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.52 -76.11 0.21 Allowed Glycine 0 C--O 1.218 -0.896 0 N-CA-C 108.918 -1.673 . . . . 25.0 108.918 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 151.68 48.76 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.73 0.776 . . . . 50.0 109.975 176.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.32 125.89 46.6 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 105.924 -1.88 . . . . 50.0 105.924 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.2 m 54.62 85.97 0.06 Allowed 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 113.972 1.101 . . . . 25.0 113.972 -177.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.34 -2.71 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 114.883 -1.053 . . . . 25.0 110.8 171.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt -111.66 160.28 11.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.004 -1.11 . . . . 50.0 108.004 178.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 50.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 50.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 50.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 50.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 50.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 50.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 50.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 50.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 50.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 50.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.65 -38.27 86.54 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 175.009 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -34.11 71.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.261 0.837 . . . . 50.0 113.261 -178.498 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.81 -19.68 43.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.674 0.62 . . . . 50.0 112.674 177.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -80.19 -10.56 59.77 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 -177.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 63.02 16.04 56.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 116.43 1.332 . . . . 25.0 116.43 178.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.55 43.57 Favored Glycine 0 C--O 1.223 -0.559 0 CA-C-N 117.656 0.728 . . . . 25.0 113.495 -177.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.69 5.88 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.193 0.52 . . . . 50.0 111.862 -173.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -112.91 95.16 5.26 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 178.095 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 124.306 2.003 . . . . 25.0 114.074 -176.221 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 123.148 1.451 . . . . 25.0 114.568 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.07 23.59 0.85 Allowed 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.672 -1.267 . . . . 50.0 111.745 -178.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -55.5 -24.2 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.488 0.715 . . . . 50.0 112.884 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.03 -33.3 75.13 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.394 -0.816 . . . . 50.0 112.371 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 50.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 50.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 50.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 50.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 50.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 50.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 50.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 50.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 50.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 50.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 50.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 50.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 50.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 50.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 50.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 50.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 50.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 50.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 50.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 50.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 50.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 50.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 50.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 50.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 50.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 50.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 50.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 50.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 50.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 50.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 50.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 50.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.409 HE22 ' HB2' ' B' ' 162' ' ' LYS . 39.5 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 50.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.68 -41.26 90.26 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -71.13 -30.02 65.97 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 112.457 0.54 . . . . 50.0 112.457 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.2 t -72.08 -47.29 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 121.439 -0.788 . . . . 50.0 110.811 178.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.81 -29.52 66.83 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 119.475 -0.89 . . . . 50.0 109.61 179.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.38 -43.31 94.9 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 110.153 -0.314 . . . . 50.0 110.153 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.94 77.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.815 0.341 . . . . 25.0 110.208 179.031 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.32 -42.81 83.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.277 0.561 . . . . 50.0 109.923 177.896 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.21 -35.71 81.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.184 -0.462 . . . . 25.0 112.124 -179.588 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.76 -37.11 80.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.904 -0.497 . . . . 50.0 109.924 177.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.0 -22.16 61.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.83 -34.58 33.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 172.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.31 -52.93 14.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.137 -0.483 . . . . 50.0 112.19 -177.117 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 47.76 27.22 1.04 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.795 1.405 . . . . 50.0 114.795 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -134.84 6.35 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.849 -0.532 . . . . 50.0 111.083 -178.444 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -138.96 101.24 4.24 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 -176.002 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--O 1.205 -1.252 0 CA-C-O 123.661 1.696 . . . . 25.0 112.629 -178.337 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.689 0 CA-C-O 124.278 2.044 . . . . 25.0 114.943 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 154.86 26.87 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 113.574 -1.313 . . . . 25.0 109.392 179.094 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -73.19 142.77 47.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.603 0.716 . . . . 25.0 110.114 178.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -160.98 137.02 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 178.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -146.68 15.65 1.25 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.511 0.672 . . . . 25.0 109.837 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 68.71 173.35 0.29 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.63 1.572 . . . . 25.0 112.975 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -151.81 124.4 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.189 -0.671 . . . . 50.0 109.189 179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -150.4 89.72 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.449 0.642 . . . . 25.0 109.313 -178.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 68.6 mt -120.76 106.61 11.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -177.016 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.98 70.22 0.49 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 121.084 0.468 . . . . 25.0 110.392 -178.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 29.6 t -125.06 76.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.359 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.48 75.39 0.49 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.331 -174.344 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.8 mmt -94.58 5.73 50.95 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.744 -0.465 . . . . 50.0 109.744 177.076 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.75 144.67 16.89 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 110.318 -1.113 . . . . 25.0 110.318 -179.706 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.96 -66.47 0.3 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.755 0.788 . . . . 50.0 109.855 -178.062 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 10.6 t -141.43 -6.48 1.03 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.227 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 29.6 t -101.93 88.95 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.484 0.659 . . . . 25.0 110.636 -177.614 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.5 t -142.7 74.14 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 176.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -63.84 -39.8 49.59 Favored Pre-proline 0 CA--C 1.554 1.098 0 N-CA-C 116.619 2.081 . . . . 25.0 116.619 -175.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.07 145.48 31.27 Favored 'Trans proline' 0 C--N 1.353 0.777 1 C-N-CA 112.846 -4.303 . . . . 25.0 112.355 179.837 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.83 72.6 5.84 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.503 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.91 149.31 53.22 Favored 'Trans proline' 0 C--O 1.219 -0.461 0 C-N-CA 115.878 -2.281 . . . . 50.0 112.747 178.928 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -90.12 168.26 12.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.239 175.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.02 -53.89 1.89 Allowed Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 117.408 2.373 . . . . 50.0 117.408 -174.828 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.83 99.59 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 115.064 -2.824 . . . . 25.0 111.959 173.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.0 t -131.39 15.52 5.01 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.69 -175.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -69.53 105.24 2.57 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.891 -0.595 . . . . 25.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.37 161.79 34.75 Favored Pre-proline 0 C--O 1.25 1.101 0 N-CA-C 104.677 -2.342 . . . . 50.0 104.677 179.685 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.78 160.45 46.17 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 114.837 -2.975 . . . . 50.0 110.406 174.564 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 39.6 p -75.3 -16.99 60.38 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.698 -0.626 . . . . 25.0 110.54 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.9 m 55.51 -164.23 0.13 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 178.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.04 160.49 23.07 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-O 119.099 -0.834 . . . . 50.0 112.626 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.03 163.73 15.49 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 CA-C-N 119.268 1.534 . . . . 50.0 113.12 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.42 118.72 5.26 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 117.817 -0.989 . . . . 50.0 112.765 175.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.25 -145.21 34.35 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 120.112 -1.042 . . . . 25.0 111.173 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.69 165.62 0.09 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.39 1.076 . . . . 25.0 113.586 -175.404 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.2 t30 47.21 40.24 9.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.674 1.361 . . . . 25.0 114.674 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -102.95 -164.13 25.85 Favored Glycine 0 N--CA 1.462 0.421 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.472 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.34 -161.04 10.2 Favored Glycine 0 C--O 1.217 -0.913 0 N-CA-C 109.956 -1.258 . . . . 25.0 109.956 -179.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 24.0 p 44.52 64.61 1.28 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.344 1.238 . . . . 25.0 114.344 178.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.3 mt -89.92 8.52 31.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.003 -0.544 . . . . 50.0 110.613 178.135 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt 63.44 178.02 0.16 Allowed 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 116.144 1.905 . . . . 50.0 116.144 172.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 39.9 t -155.32 158.85 39.38 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 178.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.76 132.65 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 -178.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 47.2 mm -90.16 119.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.879 -1.526 . . . . 50.0 106.879 179.067 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.5 t -114.81 -1.78 13.12 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.471 -179.249 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 42.17 55.5 3.9 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 125.162 1.539 . . . . 50.0 114.863 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.97 29.44 3.81 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.336 178.175 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.87 137.21 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 -179.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 130.14 84.87 0.36 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.33 -1.108 . . . . 25.0 110.33 -174.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -72.62 151.24 42.42 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.67 124.71 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 50.0 110.219 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 30.7 p -140.01 98.47 3.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 178.694 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 30.2 m -95.1 20.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.797 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt -141.61 163.27 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 -177.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 50.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 50.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 50.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . 0.409 ' HB2' HE22 ' A' ' 52' ' ' GLN . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 50.0 111.957 178.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 50.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 50.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 50.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 50.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 50.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 50.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -67.76 -41.0 84.02 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 50.0 109.942 176.43 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.67 -15.07 59.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 -178.182 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.15 -32.06 72.91 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 122.029 0.919 . . . . 50.0 108.956 171.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -79.71 -49.2 12.43 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.038 -0.983 . . . . 50.0 113.189 -173.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.6 -152.02 45.79 Favored Glycine 0 N--CA 1.461 0.364 0 N-CA-C 107.901 -2.08 . . . . 25.0 107.901 -168.699 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 87.54 8.69 73.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.075 -0.583 . . . . 25.0 112.456 176.285 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.76 52.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.902 0.858 . . . . 50.0 110.497 -178.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 51.85 45.71 27.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.978 -1.01 . . . . 25.0 112.204 -179.447 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 127.275 3.417 . . . . 25.0 110.647 -176.23 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 124.179 1.942 . . . . 25.0 113.374 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.56 -28.11 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.705 -1.134 . . . . 50.0 111.443 -175.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.58 -35.16 73.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.291 -0.413 . . . . 50.0 111.47 -178.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -75.65 -39.62 57.42 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 121.774 -0.579 . . . . 50.0 109.654 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 50.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 50.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 50.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 50.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 50.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 50.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 50.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 50.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 50.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 50.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 50.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 50.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 50.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 50.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 50.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 50.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 50.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 50.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 50.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 50.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 50.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 50.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 50.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 50.0 110.128 177.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 50.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 50.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 50.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 50.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 50.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 50.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 50.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 50.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 50.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 50.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 50.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -57.44 -43.67 84.1 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -68.73 -30.95 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 -179.106 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -72.85 -47.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.217 -0.66 . . . . 50.0 109.217 179.492 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -69.16 -30.01 68.15 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.136 -0.977 . . . . 50.0 111.464 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.56 -44.33 87.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 121.529 0.681 . . . . 50.0 111.501 173.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.72 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.286 177.514 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -73.42 -31.1 63.66 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.98 -40.87 91.58 Favored 'General case' 0 C--O 1.247 0.945 0 C-N-CA 122.623 0.369 . . . . 25.0 110.649 176.38 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -67.99 -34.85 77.32 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.81 -25.03 64.47 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 175.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -36.88 38.41 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 173.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -48.27 62.74 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.13 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 52.68 29.14 6.98 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.73 1.212 . . . . 50.0 112.298 -176.617 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -132.89 14.51 4.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.427 1.108 . . . . 50.0 112.306 -178.623 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.88 164.93 27.14 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 100.789 -3.782 . . . . 50.0 100.789 -178.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 . . . . . 0 C--N 1.301 -1.532 0 CA-C-O 123.585 1.66 . . . . 25.0 114.311 -177.728 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 126.248 3.138 . . . . 25.0 114.222 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 19.44 6.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 110.483 -2.858 . . . . 25.0 113.276 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.3 mtp 53.84 63.59 2.14 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.495 0.664 . . . . 25.0 112.34 -178.155 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.1 151.71 9.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 122.254 1.025 . . . . 25.0 113.036 -178.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.85 158.7 34.4 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 114.464 -1.244 . . . . 25.0 108.14 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.06 146.25 43.83 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.06 143.25 55.59 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.953 -0.467 . . . . 50.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.4 m -121.48 168.88 11.21 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 -178.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 142.47 55.65 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 124.111 0.882 . . . . 25.0 109.766 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -102.46 -11.78 18.33 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.314 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.09 137.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 104.69 -2.337 . . . . 25.0 104.69 179.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.82 170.99 21.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 -176.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.6 ptp -150.5 164.67 35.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 104.902 -2.259 . . . . 50.0 104.902 173.279 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.71 99.7 0.17 Allowed Glycine 0 C--O 1.209 -1.411 0 C-N-CA 119.867 -1.158 . . . . 25.0 112.525 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -132.32 19.02 4.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.359 1.076 . . . . 50.0 109.572 -174.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.2 p 44.04 52.98 6.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.393 -1.73 . . . . 25.0 111.261 -176.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.23 123.36 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 114.845 -1.07 . . . . 25.0 113.101 -176.409 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.83 114.16 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 176.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.254 24.6 tt0 100.14 -60.76 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 174.301 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.24 139.4 29.19 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 114.316 -3.323 . . . . 25.0 114.634 -174.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.76 154.4 42.17 Favored Pre-proline 0 C--O 1.242 0.672 0 N-CA-C 107.17 -1.419 . . . . 25.0 107.17 175.037 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.94 153.74 74.58 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 116.883 -1.611 . . . . 50.0 111.55 178.395 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -74.68 167.31 22.04 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.843 1.306 . . . . 50.0 109.236 -177.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.85 -42.05 94.11 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 117.697 2.48 . . . . 50.0 117.697 -171.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -58.99 152.44 58.51 Favored 'Trans proline' 0 C--O 1.205 -1.13 0 C-N-CA 114.506 -3.196 . . . . 25.0 113.959 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 18.7 p -136.34 169.07 18.26 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.3 m 58.52 42.12 21.43 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 124.75 1.282 . . . . 25.0 112.705 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -70.86 153.53 94.74 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 173.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -72.49 148.37 48.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 CA-C-O 121.599 0.583 . . . . 50.0 112.99 -176.306 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -123.46 40.13 3.79 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.09 0.948 . . . . 25.0 110.592 -177.369 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.5 m -69.46 153.36 43.64 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -177.143 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.07 177.44 39.82 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-O 117.599 -1.667 . . . . 50.0 109.305 177.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.63 143.47 18.96 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 119.864 1.832 . . . . 50.0 113.107 -179.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.9 155.38 30.37 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 117.322 -1.319 . . . . 50.0 114.112 177.723 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -111.68 154.19 16.88 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 -179.578 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -78.03 -33.61 50.97 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -173.378 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 51.21 62.34 2.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.99 146.43 50.4 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 114.411 0.525 . . . . 25.0 114.411 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.87 46.28 0.09 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.62 -0.8 . . . . 25.0 112.823 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.5 t -114.3 -149.31 0.44 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -178.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.9 tp 56.76 51.22 11.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.265 1.026 . . . . 50.0 111.517 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.96 122.88 35.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.694 0.759 . . . . 50.0 109.046 179.605 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.9 m -153.27 109.51 3.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.35 132.85 49.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.99 135.22 28.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 -177.167 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 p -106.14 -66.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.751 0.786 . . . . 25.0 109.945 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 42.95 49.36 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.611 -1.631 . . . . 50.0 114.468 170.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 35.07 1.96 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 115.545 0.978 . . . . 25.0 115.545 -176.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.88 144.76 26.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.17 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.73 -76.91 1.33 Allowed Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.439 -1.464 . . . . 25.0 109.439 177.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.25 163.76 30.16 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 178.505 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.31 130.32 9.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 107.889 -1.152 . . . . 50.0 107.889 176.082 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 24.3 m -90.02 81.73 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.849 -0.532 . . . . 25.0 110.296 -178.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.37 26.25 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.812 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -176.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -139.0 159.69 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 50.0 112.206 -177.404 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 50.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 50.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 50.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 50.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 50.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 50.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 50.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 50.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 50.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 50.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.35 -26.27 61.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 175.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.76 -28.73 55.83 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.986 0.735 . . . . 50.0 112.986 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.33 -21.89 66.54 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.929 1.347 . . . . 50.0 109.817 176.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -82.64 -1.73 51.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.072 -0.967 . . . . 50.0 112.961 -178.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 65.05 31.85 82.22 Favored Glycine 0 C--O 1.219 -0.788 0 O-C-N 124.225 0.953 . . . . 25.0 113.995 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' B' ' 179' ' ' ALA . . . -164.35 -24.85 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 119.67 2.628 . . . . 25.0 119.67 -178.076 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 65.7 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 116.513 2.042 . . . . 50.0 116.513 -178.716 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' B' ' 177' ' ' GLY . . . -105.34 86.85 2.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.233 1.013 . . . . 25.0 109.424 176.427 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 126.279 1.831 . . . . 25.0 114.446 -179.962 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.511 2.614 0 CA-C-O 123.07 1.414 . . . . 25.0 113.554 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -125.39 2.03 7.72 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 114.133 1.16 . . . . 50.0 114.133 179.01 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -58.7 -29.57 66.74 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.52 0.933 . . . . 50.0 113.52 -173.422 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.25 -30.75 71.79 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 118.317 0.508 . . . . 50.0 110.792 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 50.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 50.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 50.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 50.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 50.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 50.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 50.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 50.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 50.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 50.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 50.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 50.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 50.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 50.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 50.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 50.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 50.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 50.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 50.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 50.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 50.0 109.541 178.12 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 50.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 50.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 50.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 50.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 50.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 50.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 50.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 50.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 50.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 50.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 50.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 50.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 50.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -58.44 -41.73 85.74 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -68.53 -33.51 74.24 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.835 -0.746 . . . . 50.0 111.383 179.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -74.33 -42.54 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.588 -0.695 . . . . 50.0 111.146 -178.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.81 -30.43 68.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.299 -0.63 . . . . 50.0 109.299 177.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.85 -42.67 80.98 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.446 -0.946 . . . . 50.0 108.446 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.22 90.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.371 0.605 . . . . 25.0 109.89 -178.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -64.56 -39.12 93.18 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.353 -0.385 . . . . 50.0 111.211 175.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.09 -39.09 86.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.035 0.445 . . . . 25.0 110.118 178.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -64.58 -37.11 86.45 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.386 -0.821 . . . . 50.0 109.088 177.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.42 -26.31 64.56 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 119.685 -0.198 . . . . 25.0 111.269 178.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.88 -24.99 55.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.688 0.756 . . . . 25.0 110.733 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.3 -57.73 2.74 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.208 -0.451 . . . . 50.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 45.44 30.88 0.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.72 1.378 . . . . 50.0 114.72 -174.206 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -141.3 16.58 2.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.839 1.304 . . . . 50.0 110.606 -173.465 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -143.19 115.58 8.52 Favored 'General case' 0 C--O 1.202 -1.427 0 O-C-N 121.365 -0.835 . . . . 50.0 109.404 -175.706 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 123.682 1.705 . . . . 25.0 111.523 -179.338 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 CA-C-O 122.851 1.251 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 155.62 29.78 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 121.173 -1.193 . . . . 25.0 108.839 179.859 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.49 161.6 37.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 176.209 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.68 138.83 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.919 0.866 . . . . 25.0 110.38 -177.013 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.93 146.53 54.84 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.191 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.23 67.07 3.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.361 0.601 . . . . 25.0 109.893 176.663 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -74.69 89.57 2.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.924 0.89 . . . . 50.0 111.52 -176.501 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 86.6 p -146.2 169.55 18.54 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.694 -1.139 . . . . 25.0 108.97 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.58 144.34 49.24 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 178.241 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.49 69.55 1.23 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.019 0.372 . . . . 25.0 110.416 179.123 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 23.8 t -117.95 83.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 178.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.2 141.46 47.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.279 -2.119 . . . . 25.0 105.279 174.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.7 mtm -128.93 156.24 44.04 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.011 -2.959 . . . . 50.0 103.011 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.49 148.6 17.24 Favored Glycine 0 C--O 1.209 -1.467 0 N-CA-C 110.435 -1.066 . . . . 25.0 110.435 -176.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -74.44 -27.13 60.46 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.66 0.271 . . . . 50.0 111.285 -175.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 17.9 p 43.64 41.18 3.36 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.07 1.508 . . . . 25.0 115.07 177.591 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 45.2 t -68.77 128.43 32.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.775 -0.578 . . . . 25.0 109.795 -178.861 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.28 114.28 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.582 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.278 27.0 tt0 95.02 -55.75 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 119.37 3.1 . . . . 25.0 119.37 179.153 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.6 19.07 1.35 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 116.727 -1.715 . . . . 25.0 115.241 -175.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 144.82 91.8 Favored Pre-proline 0 C--O 1.219 -0.524 0 CA-C-O 121.408 0.623 . . . . 25.0 110.918 -175.173 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.73 147.14 62.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 114.841 -2.973 . . . . 50.0 113.608 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.2 mt -93.7 152.67 18.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 113.774 -1.557 . . . . 50.0 107.548 174.171 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.255 84.8 tttt 76.8 -94.47 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 116.715 -1.612 . . . . 50.0 109.642 -178.697 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.54 142.98 50.42 Favored 'Trans proline' 0 C--N 1.364 1.363 1 C-N-CA 107.952 -7.566 . . . . 25.0 111.131 172.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.1 p -98.63 105.98 18.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.076 -0.39 . . . . 25.0 111.641 -170.692 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.6 p 58.24 173.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 115.408 1.633 . . . . 25.0 115.408 177.882 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -128.84 75.48 80.04 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 178.547 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.39 151.18 22.74 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 N-CA-C 115.333 1.243 . . . . 50.0 115.333 -173.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 81.0 p -90.43 -3.87 57.39 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 175.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 17.1 m 64.48 -177.87 0.17 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.304 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.66 -178.16 30.99 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 118.625 -1.097 . . . . 50.0 111.058 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.92 146.4 59.07 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 CA-C-N 120.355 2.078 . . . . 50.0 113.406 -177.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -78.64 172.31 15.35 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 CA-C-O 121.403 0.501 . . . . 50.0 111.664 176.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.39 156.23 16.99 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 109.765 -1.334 . . . . 25.0 109.765 174.706 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -161.47 175.69 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 178.585 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -130.78 174.14 10.24 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 104.974 -2.232 . . . . 25.0 104.974 176.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -168.82 178.65 42.07 Favored Glycine 0 C--N 1.314 -0.675 0 C-N-CA 119.613 -1.28 . . . . 25.0 112.552 -178.23 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.11 177.54 54.17 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 112.227 -0.349 . . . . 25.0 112.227 179.656 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 44.8 t -128.07 104.5 7.81 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 121.097 0.475 . . . . 25.0 110.774 -177.102 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 45.11 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 177.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 66.0 mt -128.04 137.68 52.27 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.397 -0.964 . . . . 50.0 108.397 -176.109 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 19.9 m -144.48 146.18 32.29 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.91 137.7 54.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -176.059 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.6 mm -69.39 120.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 -178.373 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.7 t -113.52 -5.23 13.46 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 122.584 1.183 . . . . 25.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -87.8 34.66 0.72 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 113.945 -1.48 . . . . 50.0 110.355 -179.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -79.24 -18.52 74.06 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 119.993 -1.099 . . . . 25.0 114.154 -178.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.17 148.4 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -161.18 40.07 0.42 Allowed Glycine 0 C--O 1.215 -1.08 0 CA-C-O 121.509 0.505 . . . . 25.0 111.988 178.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.32 -45.31 88.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.544 1.313 . . . . 50.0 114.544 -171.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 25.3 tp 58.97 113.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 118.238 2.681 . . . . 50.0 118.238 178.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 28.8 m -110.44 91.24 3.58 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 120.925 -1.109 . . . . 25.0 108.996 174.126 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.3 p -86.54 1.82 5.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.959 0 CA-C-O 122.082 0.944 . . . . 25.0 109.425 178.356 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.08 164.88 33.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 50.0 106.781 -178.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 50.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 50.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 50.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 50.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 50.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 50.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 50.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 50.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 50.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 50.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.08 -39.8 86.89 Favored 'General case' 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 50.0 109.306 175.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.83 -24.08 62.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.979 0.733 . . . . 50.0 112.979 -179.374 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.92 -20.43 65.85 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.263 -0.273 . . . . 50.0 110.845 174.524 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -88.7 -7.8 55.67 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.483 0.659 . . . . 50.0 111.793 -175.822 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 70.59 -160.88 53.74 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 110.815 -0.914 . . . . 25.0 110.815 178.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.57 18.63 37.76 Favored Glycine 0 C--O 1.204 -1.721 0 CA-C-N 115.503 -0.349 . . . . 25.0 112.69 -177.362 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 11.0 t 51.23 75.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 114.526 1.306 . . . . 50.0 114.526 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -119.76 92.17 3.72 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.447 -0.783 . . . . 25.0 110.506 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -178.125 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.503 2.207 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 50.43 50.45 18.76 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.27 1.428 . . . . 50.0 112.257 -178.081 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -46.37 -37.83 8.05 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -61.0 -31.96 71.55 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 -177.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 50.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 50.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 50.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 50.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 50.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 50.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 50.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 50.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 50.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 50.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 50.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 50.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 50.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 50.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 50.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 50.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 50.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 50.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 50.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 50.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 50.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 50.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 50.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 50.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 50.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 50.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 50.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 50.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 50.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 50.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 50.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 50.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -61.87 -38.23 87.49 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -73.87 -31.2 63.03 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.894 -0.503 . . . . 50.0 112.031 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.67 -47.43 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 120.444 -0.502 . . . . 50.0 111.654 178.738 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.62 -34.39 78.1 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 178.663 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.46 -35.64 80.78 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.976 -0.557 . . . . 50.0 111.768 175.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.51 95.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 123.225 1.488 . . . . 25.0 109.528 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -68.64 -38.0 80.15 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.915 -1.039 . . . . 50.0 110.668 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.0 -37.55 88.02 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-O 121.285 0.564 . . . . 25.0 111.643 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.47 -35.78 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.51 -0.744 . . . . 50.0 110.279 178.006 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.43 -25.48 65.04 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 120.702 0.286 . . . . 25.0 111.198 177.342 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -40.05 32.84 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 121.761 0.791 . . . . 25.0 110.539 177.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.71 -47.17 22.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.073 1.138 . . . . 50.0 114.073 -176.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 46.7 34.01 2.34 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 114.696 -1.138 . . . . 50.0 113.326 -175.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -105.7 14.59 28.11 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.741 0.645 . . . . 50.0 112.741 -175.33 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 41.82 57.25 3.19 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.647 1.213 . . . . 50.0 114.187 -179.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 123.564 1.649 . . . . 25.0 111.366 176.421 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 CA-C-O 122.906 1.281 . . . . 25.0 114.839 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 151.99 51.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.707 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -139.05 155.66 47.78 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 105.282 -2.118 . . . . 25.0 105.282 176.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.2 155.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 -178.158 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -131.46 135.96 47.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 -179.176 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.11 163.07 40.09 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 107.354 -1.351 . . . . 25.0 107.354 178.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.69 112.44 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.624 -1.991 . . . . 50.0 105.624 177.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 80.7 p -124.73 151.71 44.72 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 123.829 0.706 . . . . 25.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.91 65.64 1.49 Allowed 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -179.141 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.52 99.8 3.26 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 122.9 0.48 . . . . 25.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 m -91.63 34.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 122.042 0.925 . . . . 25.0 110.054 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -137.24 36.99 2.52 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 26.6 mmt -129.36 33.94 4.45 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.265 0.555 . . . . 50.0 110.846 -176.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.63 -1.5 65.95 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.733 -0.667 . . . . 25.0 114.246 -177.251 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.12 32.22 1.18 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.923 0.868 . . . . 50.0 111.633 -174.008 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -86.67 27.3 0.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.413 0.625 . . . . 25.0 111.061 -178.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 37.4 t -76.12 117.02 20.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -172.348 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.81 127.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 172.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -123.68 9.9 0.06 OUTLIER Pre-proline 0 CA--C 1.571 1.766 0 N-CA-C 118.022 2.601 . . . . 25.0 118.022 176.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -80.62 59.22 7.37 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 114.428 -3.248 . . . . 25.0 112.753 173.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.34 144.47 98.47 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 115.327 -0.851 . . . . 25.0 112.034 -175.427 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.19 143.94 61.0 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 117.391 -1.273 . . . . 50.0 113.077 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.2 mt -88.75 137.79 32.0 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.034 -1.041 . . . . 50.0 110.812 -179.04 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.7 tttp 103.75 -56.57 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.656 2.382 . . . . 50.0 114.383 -177.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.89 146.68 33.45 Favored 'Trans proline' 0 C--N 1.362 1.25 1 C-N-CA 113.054 -4.164 . . . . 25.0 111.629 176.344 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.18 6.62 6.47 Favored 'General case' 0 C--O 1.201 -1.476 0 CA-C-O 121.719 0.771 . . . . 25.0 112.324 -175.349 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.0 t 60.74 37.48 18.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 25.0 114.833 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -114.26 91.94 25.47 Favored Pre-proline 0 C--O 1.249 1.028 0 CA-C-O 121.766 0.793 . . . . 50.0 112.056 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.94 124.26 9.01 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.55 -2.5 . . . . 50.0 112.822 175.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 13.3 t -118.5 9.67 12.39 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.573 0.701 . . . . 25.0 112.192 -175.406 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -75.75 154.76 36.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.268 -0.895 . . . . 25.0 111.249 179.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.43 177.44 37.74 Favored Glycine 0 C--O 1.241 0.58 0 CA-C-O 119.128 -0.818 . . . . 50.0 112.107 177.374 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -76.95 158.39 34.54 Favored 'Trans proline' 0 C--O 1.24 0.585 0 CA-C-N 118.794 1.297 . . . . 50.0 113.368 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.7 161.36 36.81 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 116.886 -1.609 . . . . 50.0 112.882 178.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.45 -171.96 23.0 Favored Glycine 0 N--CA 1.466 0.668 0 C-N-CA 120.012 -1.089 . . . . 25.0 111.494 178.25 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.95 141.62 28.43 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 178.721 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -76.28 156.37 33.52 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 123.779 0.675 . . . . 25.0 109.658 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.88 -173.49 13.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 105.989 -2.845 . . . . 25.0 105.989 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.17 -173.43 45.22 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 119.183 1.492 . . . . 25.0 112.919 -179.204 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.9 m -110.73 88.62 2.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.698 0.799 . . . . 25.0 111.3 -179.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.94 56.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.375 0.67 . . . . 50.0 111.236 -177.387 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.77 162.32 35.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.475 -0.784 . . . . 50.0 111.667 -177.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 32.5 t -154.73 161.01 41.7 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 102.958 -2.979 . . . . 25.0 102.958 176.606 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 8.2 p -124.64 152.28 30.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 -178.163 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.78 124.85 40.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 106.926 -1.509 . . . . 50.0 106.926 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.7 t -119.89 4.74 10.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 49.18 29.13 2.45 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 116.615 2.08 . . . . 50.0 116.615 179.359 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.02 47.61 1.04 Allowed Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.786 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 31.9 t -130.29 116.95 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.24 0.543 . . . . 25.0 112.089 -174.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.6 51.62 0.24 Allowed Glycine 0 C--O 1.238 0.391 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.281 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -123.79 164.26 19.54 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.695 0.998 . . . . 50.0 113.695 -175.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 4.8 tt -126.67 132.55 51.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.721 1.263 . . . . 50.0 110.237 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 153' ' ' SER . . . . . 0.472 ' C ' ' H ' ' B' ' 155' ' ' ILE . 33.9 m 52.3 60.41 3.84 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 115.491 1.663 . . . . 25.0 115.491 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.44 25.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 122.41 1.1 . . . . 25.0 112.756 175.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . 0.472 ' H ' ' C ' ' B' ' 153' ' ' SER . 35.0 pt -140.26 165.04 21.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.011 -1.848 . . . . 50.0 106.011 179.753 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 50.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 50.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 50.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 50.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 50.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 50.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 50.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 50.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.64 -42.66 70.57 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 50.0 109.387 175.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.96 -16.32 60.64 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -177.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.57 -16.13 64.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.939 -1.101 . . . . 50.0 108.622 172.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -100.13 4.16 44.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.433 -0.803 . . . . 50.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.65 -153.28 52.5 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 107.044 -2.422 . . . . 25.0 107.044 -174.186 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.86 5.86 84.3 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.218 -0.768 . . . . 25.0 114.523 -177.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.3 -16.65 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.557 1.179 . . . . 50.0 112.07 -175.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -134.94 80.21 1.83 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.046 -0.979 . . . . 25.0 109.313 -177.609 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.211 -0.937 0 C-N-CA 125.216 1.407 . . . . 25.0 113.055 -178.126 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 C--O 1.203 -1.353 0 N-CA-C 115.032 1.493 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 55.45 28.13 11.17 Favored 'General case' 0 C--O 1.191 -1.994 0 C-N-CA 126.332 1.853 . . . . 50.0 111.038 -176.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -56.63 -19.19 14.96 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.707 1.373 . . . . 50.0 114.707 -176.19 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.44 -29.22 66.87 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 50.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 50.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 50.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 50.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 50.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 50.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 50.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 50.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 50.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 50.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 50.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 50.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 50.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 50.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 50.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 50.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 50.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 50.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 50.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 50.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 50.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 50.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 50.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 50.0 111.06 178.726 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 50.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 50.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 50.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 50.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 50.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 50.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 50.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 50.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 50.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 50.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 50.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 50.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 50.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.75 -41.99 92.22 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.96 -30.0 69.18 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 118.369 0.531 . . . . 50.0 112.01 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -70.39 -49.47 53.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.485 -0.561 . . . . 50.0 109.485 177.039 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -72.2 -28.96 63.53 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.909 -1.119 . . . . 50.0 110.238 -177.588 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.53 -44.69 90.06 Favored 'General case' 0 C--O 1.19 -2.058 0 CA-C-N 115.494 -0.775 . . . . 50.0 109.253 174.353 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.25 78.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 121.114 -0.991 . . . . 25.0 111.908 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.26 -31.12 67.14 Favored 'General case' 0 C--O 1.208 -1.093 0 C-N-CA 120.699 -0.4 . . . . 50.0 110.657 177.119 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -69.47 -36.4 76.53 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.621 -0.674 . . . . 25.0 110.861 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.83 -39.03 92.92 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.806 -1.183 . . . . 50.0 109.163 175.305 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.57 65.74 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.253 178.491 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.24 -30.26 25.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 122.356 -0.215 . . . . 25.0 110.556 176.841 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -54.27 6.62 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 -177.131 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 42.38 41.15 2.1 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -131.76 25.03 4.7 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.342 1.979 . . . . 50.0 116.342 -177.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 60.86 42.54 13.0 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 50.0 110.856 179.658 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.568 1.652 . . . . 25.0 110.853 177.223 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.954 2.419 . . . . 25.0 113.621 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.04 13.17 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 177.829 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.31 141.37 55.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.139 -0.482 . . . . 25.0 109.892 177.084 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.74 157.65 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 -178.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.85 142.58 30.19 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.003 -0.998 . . . . 25.0 110.5 178.656 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.65 86.49 2.19 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 178.2 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.57 154.67 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.136 -0.938 . . . . 50.0 108.972 -178.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 p -147.3 161.86 40.12 Favored 'General case' 0 C--N 1.313 -1.009 0 O-C-N 123.685 0.616 . . . . 25.0 110.396 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.92 131.88 35.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.464 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.58 139.15 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 175.528 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.77 99.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 104.771 -2.307 . . . . 25.0 104.771 174.034 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.44 121.12 42.16 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.967 -1.494 . . . . 25.0 106.967 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mtm 66.09 168.19 0.21 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.144 1.527 . . . . 50.0 111.677 -178.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.37 7.37 86.98 Favored Glycine 0 CA--C 1.527 0.819 0 O-C-N 121.143 -0.973 . . . . 25.0 112.321 -177.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -105.53 14.21 28.91 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 125.463 1.505 . . . . 50.0 111.191 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 27.4 p -81.86 50.06 1.47 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.264 -177.607 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.61 134.02 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.38 -1.282 . . . . 25.0 110.101 -177.582 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.91 145.96 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -178.513 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 1.4 tt0 79.36 -8.02 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.439 0 N-CA-C 120.739 3.607 . . . . 25.0 120.739 175.292 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -69.16 139.89 43.48 Favored 'Trans proline' 0 C--N 1.361 1.21 1 C-N-CA 110.781 -5.679 . . . . 25.0 111.193 174.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.35 132.99 45.69 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -177.173 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.55 -1.78 11.17 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-O 121.798 0.666 . . . . 50.0 113.417 177.201 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 mt -111.47 171.47 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.052 -1.833 . . . . 50.0 106.052 -178.881 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 72.47 -98.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 105.145 -2.169 . . . . 50.0 105.145 -173.719 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -68.63 128.95 17.9 Favored 'Trans proline' 0 C--N 1.369 1.607 1 C-N-CA 105.753 -9.031 . . . . 25.0 111.222 165.547 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 33.8 p -77.65 130.84 37.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.562 -171.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -86.19 109.71 19.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.192 0.52 . . . . 25.0 109.664 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -144.5 109.17 4.86 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 105.186 -2.153 . . . . 50.0 105.186 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -76.95 144.23 23.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 114.85 -2.967 . . . . 50.0 111.593 -175.88 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -127.96 17.15 6.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.752 0.787 . . . . 25.0 110.214 179.472 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 36.9 p -90.76 168.04 12.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -151.65 172.82 31.05 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 120.929 -0.653 . . . . 50.0 113.755 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.97 165.9 30.95 Favored 'Trans proline' 0 CA--C 1.553 1.447 0 C-N-CA 124.824 3.682 . . . . 50.0 111.93 -179.285 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.88 167.58 26.92 Favored 'Trans proline' 0 C--O 1.24 0.591 0 N-CA-C 114.351 0.866 . . . . 50.0 114.351 -177.636 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.92 -164.62 14.19 Favored Glycine 0 C--O 1.237 0.316 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 17.7 m120 71.5 175.8 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.572 1.949 . . . . 25.0 109.09 -177.547 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -156.71 175.13 14.46 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 -177.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 172.96 -179.99 44.03 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 111.27 -0.732 . . . . 25.0 111.27 175.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.26 167.59 11.0 Favored Glycine 0 CA--C 1.505 -0.578 0 O-C-N 121.467 -1.019 . . . . 25.0 111.008 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 38.7 m -149.8 104.18 3.3 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.18 40.45 2.84 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.308 -0.997 . . . . 50.0 108.308 -177.447 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.84 155.01 19.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.744 -0.835 . . . . 50.0 108.744 -172.339 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 49.0 p -146.97 144.57 29.29 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.21 135.25 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.88 136.04 26.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 CA-C-N 114.673 -1.149 . . . . 50.0 109.74 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 6.4 t -157.74 123.29 4.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 176.418 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.17 45.62 1.33 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 106.659 -1.608 . . . . 50.0 106.659 -175.216 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.95 77.64 Favored Glycine 0 C--N 1.317 -0.496 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -175.4 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.94 140.64 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 178.638 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.95 45.18 0.17 Allowed Glycine 0 N--CA 1.468 0.803 0 N-CA-C 114.092 0.397 . . . . 25.0 114.092 179.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.57 140.61 58.89 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.563 0.697 . . . . 50.0 109.401 178.912 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.6 tp -148.82 136.64 20.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.544 -1.28 . . . . 50.0 107.544 -177.822 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.5 m -79.09 79.27 5.5 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.89 0.852 . . . . 25.0 112.051 -178.33 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.03 15.78 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.643 179.671 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt -134.03 163.94 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 50.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 50.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 50.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 50.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 50.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 50.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 50.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 50.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.15 -39.75 82.55 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 50.0 109.113 174.132 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -22.93 58.34 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 113.761 1.022 . . . . 50.0 113.761 -178.18 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.0 -33.21 71.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 108.806 -0.813 . . . . 50.0 108.806 172.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -80.48 -5.55 56.78 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.598 -1.183 . . . . 50.0 111.704 -175.355 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 76.9 -57.49 3.52 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 116.354 -0.384 . . . . 25.0 113.882 -177.208 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 74.34 22.51 77.45 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 120.503 -0.856 . . . . 25.0 112.119 179.696 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.87 23.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 115.963 1.838 . . . . 50.0 115.963 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.21 55.73 7.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 177.484 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.202 -1.413 0 CA-C-O 124.66 2.171 . . . . 25.0 110.756 175.908 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.7 mtp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 123.147 1.451 . . . . 25.0 112.632 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.92 -23.96 67.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.722 1.209 . . . . 50.0 112.408 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -64.65 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.148 -0.345 . . . . 50.0 110.488 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.76 -32.15 73.24 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.926 0.87 . . . . 50.0 111.672 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 50.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 50.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 50.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 50.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 50.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 50.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 50.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 50.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 50.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 50.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 50.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 50.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 50.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 50.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 50.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 50.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 50.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 50.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 50.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 50.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 50.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 50.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 50.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 50.0 110.175 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 50.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 50.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 50.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 50.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 50.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 50.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 50.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 50.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 50.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.23 -42.74 99.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -64.4 -30.42 71.46 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 177.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.23 -46.17 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.344 0.974 . . . . 50.0 111.444 -179.475 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.332 0.586 . . . . 50.0 109.879 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.21 -43.81 85.67 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-N 115.559 -0.746 . . . . 50.0 110.01 174.349 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.77 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 118.607 0.64 . . . . 25.0 110.837 -178.88 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.67 -35.17 65.19 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.161 -179.567 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -45.47 89.48 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 175.479 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.93 -33.19 75.26 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 -175.718 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.814 -0.175 . . . . 25.0 111.427 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.18 -27.15 53.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.313 0.578 . . . . 25.0 110.017 177.513 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.47 -59.81 1.92 Allowed 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.858 -0.527 . . . . 50.0 112.317 -175.736 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 50.22 27.62 2.72 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.61 1.564 . . . . 50.0 112.266 -174.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.04 90.96 3.18 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.482 0.713 . . . . 50.0 110.228 -172.61 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 54.52 79.57 0.14 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.811 1.767 . . . . 50.0 113.04 179.724 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.979 2.799 . . . . 25.0 112.291 -179.788 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.81 0 CA-C-O 122.691 1.162 . . . . 25.0 113.717 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.98 -39.66 1.2 Allowed 'General case' 0 C--N 1.347 0.459 0 CA-C-N 113.101 -1.549 . . . . 25.0 111.808 179.442 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.8 tpp 63.48 -169.27 0.19 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.991 0.807 . . . . 25.0 111.541 -176.172 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.13 141.06 21.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 177.229 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -126.62 115.6 19.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 177.535 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.61 129.61 14.42 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 179.168 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -151.72 27.2 0.64 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.424 1.107 . . . . 50.0 112.062 -177.82 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 59.6 p -79.24 148.89 32.03 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 177.436 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.6 tp -76.18 4.93 7.65 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.816 -0.553 . . . . 25.0 112.231 -177.841 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.37 51.75 Favored 'General case' 0 C--O 1.21 -1.011 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 178.755 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 t 34.62 59.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 116.222 1.934 . . . . 25.0 116.222 178.062 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 51.88 65.56 1.46 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 166.27 20.29 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.301 -0.409 . . . . 50.0 110.545 177.45 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.0 -89.95 1.62 Allowed Glycine 0 N--CA 1.471 0.985 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -82.94 44.45 0.93 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.794 0.33 . . . . 50.0 111.764 -176.399 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.7 p -96.13 47.4 1.09 Allowed 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 121.996 -0.44 . . . . 25.0 111.278 -177.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.5 136.07 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 105.328 -2.101 . . . . 25.0 105.328 177.753 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -118.28 78.35 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -173.383 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 90.83 -33.33 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.249 0 N-CA-C 120.574 3.546 . . . . 25.0 120.574 171.333 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.19 139.94 33.26 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 109.942 -6.239 . . . . 25.0 113.897 -177.276 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 31.04 72.66 0.52 Allowed Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 125.158 1.383 . . . . 25.0 112.986 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -63.74 139.22 67.91 Favored 'Trans proline' 0 C--N 1.353 0.792 0 N-CA-C 115.13 1.165 . . . . 50.0 115.13 -175.063 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.78 170.26 22.47 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 104.567 -2.383 . . . . 50.0 104.567 178.841 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 67.2 -102.89 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.612 0 N-CA-C 105.588 -2.005 . . . . 50.0 105.588 -173.405 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.69 141.65 38.16 Favored 'Trans proline' 0 C--N 1.367 1.528 1 C-N-CA 107.795 -7.67 . . . . 25.0 111.205 169.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 5.46 1.28 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.42 1.267 . . . . 25.0 114.42 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 51.9 p -88.51 141.51 28.47 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.156 -0.965 . . . . 25.0 108.474 175.583 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.48 159.34 83.72 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 123.308 0.38 . . . . 50.0 109.977 178.534 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.53 90.65 1.19 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 O-C-N 122.741 0.864 . . . . 50.0 113.496 177.648 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.9 t -139.07 23.59 2.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.074 -0.967 . . . . 25.0 109.805 -177.649 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -147.68 163.79 35.57 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 179.104 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 177.87 34.96 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-O 119.167 -0.796 . . . . 50.0 112.267 -179.403 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.74 163.16 31.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 CA-C-N 119.262 1.531 . . . . 50.0 112.261 -177.46 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.03 175.33 11.0 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 117.536 -1.176 . . . . 50.0 112.677 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -149.15 162.0 28.87 Favored Glycine 0 CA--C 1.503 -0.659 0 N-CA-C 107.586 -2.205 . . . . 25.0 107.586 174.755 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -97.59 -34.98 10.76 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.002 0.901 . . . . 25.0 110.603 -178.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.4 -28.95 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.78 2.511 . . . . 25.0 117.78 176.395 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.64 54.88 Favored Glycine 0 C--O 1.222 -0.626 0 N-CA-C 115.324 0.889 . . . . 25.0 115.324 -177.074 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.06 167.83 38.8 Favored Glycine 0 C--O 1.226 -0.396 0 N-CA-C 108.119 -1.992 . . . . 25.0 108.119 -177.009 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 p -138.47 58.92 1.65 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 122.494 1.14 . . . . 25.0 109.065 -174.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.59 47.58 0.73 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.555 -1.202 . . . . 50.0 113.21 -178.555 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -135.24 162.72 31.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 50.0 109.853 -174.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 35.7 t -145.6 165.44 28.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 175.433 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.92 129.92 36.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 176.225 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -78.55 118.14 25.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 106.4 -1.704 . . . . 50.0 106.4 178.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.8 t -106.28 -14.88 14.99 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 123.897 1.808 . . . . 25.0 111.107 -179.081 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -90.26 31.05 1.03 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.494 -1.685 . . . . 50.0 110.901 -178.571 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.45 34.56 3.09 Favored Glycine 0 N--CA 1.475 1.295 0 CA-C-O 119.724 -0.487 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.8 p -141.34 154.42 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 104.715 -2.328 . . . . 25.0 104.715 -178.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.31 52.01 2.62 Favored Glycine 0 C--O 1.226 -0.38 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 -175.889 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.94 160.53 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.587 1.328 . . . . 50.0 114.587 -176.352 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 23.4 tp -146.06 130.99 18.16 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.975 -0.557 . . . . 50.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 79.6 8.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 176.875 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.78 12.15 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.525 0.73 . . . . 25.0 112.391 -173.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.9 165.57 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 -178.136 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 50.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 50.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 50.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 50.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 50.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 50.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 50.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 50.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 50.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 50.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -64.03 -41.55 97.38 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 50.0 109.708 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.45 -31.76 48.16 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.328 0.862 . . . . 50.0 113.328 -174.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.37 -24.02 63.83 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.914 -0.773 . . . . 50.0 108.914 -179.422 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -69.97 -35.45 74.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.342 0.591 . . . . 50.0 112.592 175.416 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 68.89 -150.82 50.89 Favored Glycine 0 C--O 1.218 -0.855 0 C-N-CA 120.399 -0.905 . . . . 25.0 112.33 -172.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.14 -62.02 0.67 Allowed Glycine 0 C--O 1.205 -1.717 0 N-CA-C 114.852 0.701 . . . . 25.0 114.852 177.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.56 4.36 4.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 117.672 0.736 . . . . 50.0 112.064 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.92 107.23 12.03 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 177.103 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 124.44 2.067 . . . . 25.0 113.383 -176.506 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 C--O 1.206 -1.19 0 CA-C-O 123.976 1.845 . . . . 25.0 113.934 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -147.28 136.18 22.19 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 120.327 -1.483 . . . . 50.0 107.802 175.171 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -59.88 -38.67 82.88 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.851 -0.425 . . . . 50.0 109.851 179.055 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.0 -34.19 75.73 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 122.075 -0.39 . . . . 50.0 111.361 177.786 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 50.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 50.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 50.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 50.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 50.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 50.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 50.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 50.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 50.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 50.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 50.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 50.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 50.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 50.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 50.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 50.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 50.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 50.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 50.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 50.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 50.0 110.477 178.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 50.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 50.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 50.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 50.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 50.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 50.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 50.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 50.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 50.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 50.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 50.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 50.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 50.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.2 -45.53 83.69 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -68.02 -34.16 75.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 120.918 -0.313 . . . . 50.0 111.641 -177.724 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.76 -53.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 121.632 -0.667 . . . . 50.0 109.946 178.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -70.42 -27.38 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.937 -0.305 . . . . 50.0 110.723 -177.862 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.49 -45.64 82.83 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.811 -0.44 . . . . 50.0 109.811 174.372 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.75 96.47 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 178.57 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -64.97 -38.83 92.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.847 0.294 . . . . 50.0 110.367 177.139 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -64.56 -41.54 96.24 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.724 0.773 . . . . 25.0 111.248 179.288 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -69.59 -35.44 75.32 Favored 'General case' 0 C--O 1.223 -0.301 0 O-C-N 121.228 -0.92 . . . . 50.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.87 85.0 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.353 -0.385 . . . . 25.0 110.526 175.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.99 -23.12 55.25 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.99 -0.444 . . . . 25.0 111.238 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.82 -61.09 1.77 Allowed 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 119.236 -0.411 . . . . 50.0 112.023 -177.249 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 46.27 29.66 0.88 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.579 0.751 . . . . 50.0 111.629 -176.674 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -115.15 46.49 1.44 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.847 1.308 . . . . 50.0 109.024 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -116.92 77.24 1.1 Allowed 'General case' 0 C--O 1.207 -1.173 0 CA-C-N 114.168 -1.378 . . . . 50.0 108.038 -177.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.84 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.386 0 CA-C-O 125.661 2.812 . . . . 25.0 114.142 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.5 154.61 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 112.821 -1.689 . . . . 25.0 110.841 -179.147 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.0 ttt -135.81 142.28 44.84 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.62 -0.882 . . . . 25.0 108.62 176.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 157.84 2.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-O 121.623 0.725 . . . . 25.0 109.901 -178.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.7 152.84 49.67 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 179.291 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.26 1.48 Allowed 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.512 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -75.18 166.24 23.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.589 -0.522 . . . . 50.0 109.589 177.546 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 56.4 p -137.79 155.52 48.94 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 174.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.3 116.3 6.86 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.77 95.82 1.81 Allowed 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.245 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.64 95.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.801 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.23 82.53 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 -177.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 6.8 ttm 67.24 179.17 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.476 1.11 . . . . 50.0 109.526 -170.482 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.78 -175.44 32.66 Favored Glycine 0 C--N 1.332 0.317 0 N-CA-C 107.747 -2.141 . . . . 25.0 107.747 -169.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -121.58 -59.24 1.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.774 0.657 . . . . 50.0 112.774 -177.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 40.2 0.94 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.342 1.068 . . . . 25.0 112.709 -174.518 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.76 102.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.556 -0.715 . . . . 25.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -140.38 128.03 23.95 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-O 119.189 -0.434 . . . . 25.0 111.651 -176.256 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.281 19.9 tt0 103.89 -51.88 0.0 OUTLIER Pre-proline 0 N--CA 1.5 2.074 1 N-CA-C 121.994 4.072 . . . . 25.0 121.994 166.731 . . . . . . . . 3 2 . 1 . 043 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -62.56 99.37 0.21 Allowed 'Trans proline' 0 CA--C 1.554 1.501 0 N-CA-C 119.125 2.702 . . . . 25.0 119.125 -173.746 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.37 130.22 2.15 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 115.514 -0.766 . . . . 25.0 109.491 171.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.32 129.83 12.41 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 115.75 -2.366 . . . . 50.0 111.079 175.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -158.48 170.21 22.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.424 0.898 . . . . 50.0 113.424 -174.467 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tptp 100.54 -46.94 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.627 0 N-CA-C 120.489 3.514 . . . . 50.0 120.489 171.747 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.97 116.43 4.31 Favored 'Trans proline' 0 C--O 1.246 0.885 1 C-N-CA 112.834 -4.311 . . . . 25.0 112.515 -179.138 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -150.64 14.73 0.76 Allowed 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.319 1.057 . . . . 25.0 109.447 -172.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.7 p -170.86 98.22 0.22 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -176.631 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -123.48 154.28 66.08 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 106.777 -1.564 . . . . 50.0 106.777 176.555 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.99 144.91 38.97 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 116.857 -1.629 . . . . 50.0 113.555 -178.341 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.4 t -107.01 -6.58 17.38 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 2.4 t 60.31 -170.35 0.14 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.583 1.153 . . . . 25.0 113.469 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.2 176.88 47.81 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 118.863 -0.965 . . . . 50.0 113.393 -178.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.57 159.21 22.2 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.626 2.884 . . . . 50.0 114.455 -176.471 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -73.74 156.89 48.57 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 118.022 -0.852 . . . . 50.0 112.988 175.809 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -123.85 -142.41 6.02 Favored Glycine 0 C--O 1.25 1.121 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.246 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 63.6 t30 76.94 148.0 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.825 1.65 . . . . 25.0 112.177 176.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -155.32 155.86 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 -177.885 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.34 -171.82 43.71 Favored Glycine 0 C--O 1.246 0.87 0 N-CA-C 110.184 -1.167 . . . . 25.0 110.184 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.14 119.27 4.59 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 122.489 1.049 . . . . 25.0 111.323 179.198 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.9 p -153.22 88.31 1.3 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.347 0.594 . . . . 25.0 110.486 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 41.9 tp -140.24 81.41 1.81 Allowed 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.665 -1.235 . . . . 50.0 107.665 179.314 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.9 147.82 49.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.95 -0.469 . . . . 50.0 110.909 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -159.3 155.1 26.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 -178.402 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.9 t -137.95 139.67 42.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 178.755 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 38.0 mm -106.63 126.62 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.296 -0.859 . . . . 50.0 109.411 -176.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -120.26 0.59 10.66 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.542 0.527 . . . . 25.0 111.336 178.101 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 45.31 43.2 8.07 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.227 1.566 . . . . 50.0 115.227 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.75 35.41 3.64 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 121.672 -0.642 . . . . 25.0 113.102 177.316 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.3 p -148.89 141.84 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 117.779 0.79 . . . . 25.0 109.057 -176.176 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -109.04 -61.72 0.53 Allowed Glycine 0 C--N 1.306 -1.087 0 O-C-N 121.849 -0.532 . . . . 25.0 112.801 -177.727 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.44 165.99 11.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.755 -0.85 . . . . 50.0 111.35 -177.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -174.3 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.245 -0.889 . . . . 50.0 108.763 175.138 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p 48.2 54.35 10.38 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 177.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.6 m -71.82 8.79 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.777 0 N-CA-C 115.749 1.759 . . . . 25.0 115.749 178.307 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.26 171.62 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 -177.452 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 50.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 50.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 50.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 50.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 50.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 50.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 50.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 50.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 50.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 50.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -64.58 -39.97 94.7 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 50.0 111.543 177.266 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.32 -24.89 61.38 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 124.019 0.824 . . . . 50.0 113.145 -176.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.78 -11.96 60.95 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.11 0.957 . . . . 50.0 112.37 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -82.86 -19.88 36.65 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 116.773 2.138 . . . . 50.0 116.773 -174.753 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.25 -155.51 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -172.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -172.94 59.85 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.334 -0.936 . . . . 25.0 114.633 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.77 12.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 117.834 0.817 . . . . 50.0 110.557 -175.415 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.82 71.9 5.31 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 122.34 1.067 . . . . 25.0 109.421 175.081 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.206 -1.221 0 CA-C-O 123.67 1.7 . . . . 25.0 115.095 -177.611 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 125.835 2.731 . . . . 25.0 114.159 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -122.36 -14.6 7.83 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.93 -1.731 . . . . 50.0 112.029 -173.665 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -61.18 -37.21 82.13 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 115.064 -0.971 . . . . 50.0 112.296 -172.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.99 -32.26 72.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.288 -1.508 . . . . 50.0 110.447 -179.867 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 50.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 50.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 50.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 50.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 50.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 50.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 50.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 50.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 50.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 50.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 50.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 50.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 50.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 50.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 50.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 50.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 50.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 50.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 50.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 50.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 50.0 111.612 178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 50.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 50.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 50.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 50.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 50.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 50.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 50.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 50.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 50.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 50.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 50.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 50.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 50.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.81 -42.0 92.5 Favored 'General case' 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -73.28 -29.95 63.09 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 121.999 -0.438 . . . . 50.0 111.404 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.6 t -71.61 -47.29 58.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 C-N-CA 119.442 -0.903 . . . . 50.0 110.286 176.024 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.8 -32.34 73.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.444 -0.902 . . . . 50.0 109.942 179.321 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.47 -38.51 90.0 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.432 -0.349 . . . . 50.0 110.087 176.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.64 96.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.935 0.874 . . . . 25.0 111.905 -178.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.46 -42.38 83.13 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 121.497 -0.752 . . . . 50.0 110.171 178.174 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -37.12 86.45 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 176.257 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -64.3 -37.61 88.1 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.074 -1.016 . . . . 50.0 111.567 176.649 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.54 -26.65 68.8 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.669 -1.15 . . . . 25.0 111.022 179.179 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.76 30.09 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.676 177.597 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.51 -54.3 5.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.214 0.461 . . . . 50.0 111.534 179.392 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 47.39 31.31 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.942 1.297 . . . . 50.0 114.18 -173.81 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -158.45 23.92 0.24 Allowed 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.106 0.78 . . . . 50.0 113.106 -176.349 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -139.0 170.33 16.17 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 176.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 125.721 2.677 . . . . 25.0 114.092 178.415 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.638 0 CA-C-O 122.303 0.946 . . . . 25.0 114.969 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.2 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.767 -1.431 . . . . 25.0 114.181 -175.504 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 74.6 mtm 42.76 62.12 1.86 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 179.236 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 m -112.93 153.86 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 124.235 1.014 . . . . 25.0 108.79 179.404 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -117.56 18.68 14.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.07 143.25 31.78 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.224 0.535 . . . . 25.0 109.575 175.332 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.66 43.27 3.16 Favored 'General case' 0 C--O 1.26 1.634 0 N-CA-C 106.052 -1.833 . . . . 50.0 106.052 -177.202 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.7 m -66.75 146.34 54.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.591 -179.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.71 104.0 13.62 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.655 0.782 . . . . 25.0 109.159 -177.846 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.03 111.05 6.59 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.69 26.04 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 123.799 1.762 . . . . 25.0 109.499 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.86 168.98 25.37 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.391 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 69.9 mtm -106.68 7.27 30.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 176.603 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.73 177.93 39.55 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-O 118.496 -1.169 . . . . 25.0 110.825 -178.19 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t0 48.26 48.71 18.56 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 118.101 0.95 . . . . 50.0 111.459 -175.149 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.1 p -79.51 26.11 0.31 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.66 -178.27 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.59 132.0 33.22 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 N-CA-C 103.556 -2.757 . . . . 25.0 103.556 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.41 44.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 122.889 1.328 . . . . 25.0 107.941 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.55 -92.33 0.0 OUTLIER Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 113.09 -1.868 . . . . 25.0 110.142 172.421 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -84.86 91.84 0.74 Allowed 'Trans proline' 0 C--N 1.374 1.92 1 C-N-CA 111.597 -5.135 . . . . 25.0 111.99 174.311 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.11 153.3 52.92 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 179.355 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.02 151.6 62.0 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 116.273 -2.018 . . . . 50.0 109.539 170.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.01 159.84 36.82 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.247 0.546 . . . . 50.0 110.619 -178.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 73.56 -96.78 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 106.222 -1.77 . . . . 50.0 106.222 -170.386 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -71.16 130.25 17.34 Favored 'Trans proline' 0 C--N 1.369 1.643 1 C-N-CA 108.037 -7.509 . . . . 25.0 111.281 167.944 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.2 168.8 18.9 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.821 0.701 . . . . 25.0 111.389 -177.555 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 7.0 p -74.77 148.63 40.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.722 -1.236 . . . . 25.0 111.546 -175.452 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -142.79 152.66 59.8 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 176.809 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -67.56 149.96 79.83 Favored 'Trans proline' 0 C--O 1.21 -0.902 0 C-N-CA 117.982 -0.878 . . . . 50.0 111.948 176.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 75.1 p -68.47 -24.76 64.73 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.064 -177.072 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 m 52.14 -162.29 0.09 Allowed 'General case' 0 CA--C 1.583 2.227 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 174.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 177.86 -167.92 39.05 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-O 117.446 -1.752 . . . . 50.0 109.39 -170.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.67 130.1 24.0 Favored 'Trans proline' 0 CA--C 1.564 2.002 0 CA-C-N 120.117 1.959 . . . . 50.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -88.85 4.0 5.54 Favored 'Trans proline' 0 C--O 1.206 -1.11 0 N-CA-C 116.154 1.559 . . . . 50.0 116.154 -170.005 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.58 85.71 0.52 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 122.71 1.172 . . . . 25.0 111.286 -174.379 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.8 p30 -68.35 -20.28 64.71 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.407 -1.054 . . . . 25.0 112.137 179.805 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 56.78 -154.85 0.33 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.991 1.316 . . . . 25.0 112.427 176.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -179.48 173.22 45.13 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.544 -1.022 . . . . 25.0 110.544 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.64 41.67 0.26 Allowed Glycine 0 C--O 1.207 -1.552 0 C-N-CA 119.147 -1.501 . . . . 25.0 113.898 -176.817 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.2 t -130.04 63.18 1.55 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.11 -1.229 . . . . 25.0 108.469 -173.172 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -116.37 49.5 1.13 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.41 -0.813 . . . . 50.0 109.678 -176.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.56 151.99 47.17 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.274 1.035 . . . . 50.0 111.166 -176.483 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 20.3 p -156.0 145.36 20.81 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 177.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 44.7 t -137.54 130.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.44 126.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 105.615 -1.994 . . . . 50.0 105.615 178.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.4 p -135.16 72.44 1.45 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.656 1.217 . . . . 25.0 111.522 178.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -126.4 32.18 5.24 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.165 -1.38 . . . . 50.0 110.538 -178.668 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.91 -10.74 48.61 Favored Glycine 0 C--O 1.194 -2.347 0 C-N-CA 119.055 -1.545 . . . . 25.0 114.41 -176.714 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -126.65 128.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 120.589 -1.536 . . . . 25.0 109.597 -174.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.27 56.82 0.05 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 C-N-CA 120.39 -0.91 . . . . 25.0 112.936 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.48 -46.74 81.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.369 1.084 . . . . 50.0 111.181 -171.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -131.23 -76.99 0.52 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.723 0.639 . . . . 50.0 109.82 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 44.1 m -135.45 83.73 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -174.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.5 p -81.34 0.03 4.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 C-N-CA 124.161 0.984 . . . . 25.0 109.071 178.562 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt -119.98 174.41 5.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.456 0 CA-C-N 114.865 -1.061 . . . . 50.0 108.978 174.554 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 50.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 50.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 50.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 50.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 50.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 50.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 50.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 50.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 50.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.29 -33.79 75.33 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 50.0 110.305 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 -27.49 44.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.695 0.998 . . . . 50.0 113.695 -174.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.03 -28.28 69.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.709 -0.797 . . . . 50.0 109.139 175.575 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -70.49 -28.51 65.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.887 -0.412 . . . . 50.0 109.887 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 155.65 141.39 3.2 Favored Glycine 0 C--O 1.217 -0.916 0 CA-C-O 122.87 1.261 . . . . 25.0 114.319 174.584 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -78.12 0.29 74.01 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 119.333 -1.413 . . . . 25.0 111.177 177.587 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.71 -0.68 7.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-O 122.195 0.997 . . . . 50.0 110.17 176.783 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.42 47.31 1.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.199 1.476 . . . . 25.0 109.152 -178.664 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.2 -1.546 0 C-N-CA 124.921 1.288 . . . . 25.0 112.126 176.146 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -83.3 10.94 7.4 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.329 -2.107 . . . . 50.0 111.531 -177.594 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -60.89 -17.39 50.41 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.277 0.631 . . . . 50.0 111.299 176.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -53.9 -31.22 49.24 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 177.243 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 50.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 50.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 50.0 110.362 -175.119 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 50.0 111.775 -178.287 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 50.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 50.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 50.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 50.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 50.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 50.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 50.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 50.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 50.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 50.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 50.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 50.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 50.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 50.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 50.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 50.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 50.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 50.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 50.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 50.0 107.87 179.728 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 50.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 50.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 50.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 50.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 50.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 50.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 50.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 50.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 50.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 50.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 50.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 50.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 50.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.92 -41.61 78.46 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.43 -33.5 71.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.751 -1.113 . . . . 50.0 112.321 177.515 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.69 -47.15 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 121.112 -0.992 . . . . 50.0 111.814 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -64.74 -31.78 73.17 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.518 -0.739 . . . . 50.0 110.635 177.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -69.57 -42.18 74.86 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 117.82 -1.086 . . . . 50.0 111.195 175.011 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.06 96.14 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 119.567 -0.853 . . . . 25.0 109.25 177.222 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -64.84 -40.18 94.76 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 122.068 0.937 . . . . 50.0 111.254 179.331 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.25 -39.68 86.16 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 121.544 -0.722 . . . . 25.0 111.034 177.07 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.71 -32.89 73.84 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.793 -1.192 . . . . 50.0 108.158 -179.707 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.94 68.74 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.021 -179.392 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.89 -34.31 64.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.004 0.907 . . . . 25.0 111.844 176.769 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.05 -60.78 2.11 Favored 'General case' 0 C--O 1.198 -1.647 0 CA-C-N 115.284 -0.871 . . . . 50.0 112.593 -176.33 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 43.78 38.72 2.17 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.247 0.619 . . . . 50.0 112.481 -170.561 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -152.64 9.41 0.46 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 124.397 1.061 . . . . 50.0 112.198 -176.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.31 120.58 5.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.129 -0.487 . . . . 50.0 111.145 -177.07 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.191 -1.99 0 CA-C-O 123.064 1.412 . . . . 25.0 111.096 177.437 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.947 0 CA-C-O 123.475 1.597 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.55 38.49 25.86 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 126.142 1.777 . . . . 25.0 108.992 -179.771 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.16 139.95 47.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 -178.161 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.28 155.02 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.82 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.044 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -130.23 144.46 51.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -175.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 32.89 1.18 Allowed 'General case' 0 C--O 1.251 1.173 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 67.56 164.23 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 114.181 -1.372 . . . . 50.0 110.614 -177.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 44.03 2.06 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.017 -1.052 . . . . 25.0 110.278 -177.339 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 38.4 mt 61.13 -171.32 0.15 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.343 -1.298 . . . . 25.0 113.257 176.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.01 40.37 3.23 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.55 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.5 96.19 3.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 175.594 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.78 40.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.726 -0.789 . . . . 25.0 110.584 -176.478 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 49.4 mtt 60.48 -179.28 0.1 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.223 1.409 . . . . 50.0 113.734 178.334 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.21 -58.91 4.2 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-O 117.849 -1.529 . . . . 25.0 114.143 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -96.55 63.28 2.07 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.45 1.625 . . . . 50.0 111.852 -179.533 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -72.36 3.0 5.17 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 120.805 -1.185 . . . . 25.0 111.366 174.043 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 96.9 t -80.06 130.27 36.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.151 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.21 93.78 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 O-C-N 121.764 -0.585 . . . . 25.0 112.146 -177.307 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 37.3 mt-10 91.02 -37.26 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.917 0 N-CA-C 120.281 3.437 . . . . 25.0 120.281 177.351 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.53 2.74 4.85 Favored 'Trans proline' 0 C--O 1.253 1.262 0 C-N-CA 113.553 -3.831 . . . . 25.0 116.947 -175.67 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -152.95 150.93 25.34 Favored Pre-proline 0 C--O 1.26 1.613 0 CA-C-N 119.522 1.055 . . . . 25.0 109.222 -179.581 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.26 157.84 45.49 Favored 'Trans proline' 0 CA--C 1.509 -0.772 0 C-N-CA 116.703 -1.731 . . . . 50.0 113.036 177.33 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 162.87 35.47 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 115.848 1.796 . . . . 50.0 115.848 179.719 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 0.3 OUTLIER 95.05 -32.24 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.604 0 N-CA-C 120.074 3.361 . . . . 50.0 120.074 172.202 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.89 132.75 18.87 Favored 'Trans proline' 0 C--N 1.364 1.373 1 C-N-CA 112.199 -4.734 . . . . 25.0 112.46 177.747 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.25 27.34 0.25 Allowed 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.935 -179.008 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 86.1 p -97.78 157.72 15.91 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 -179.605 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -124.17 150.18 62.75 Favored Pre-proline 0 C--O 1.221 -0.403 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 177.391 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.82 156.21 57.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 116.184 1.571 . . . . 50.0 116.184 175.395 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.2 p -120.55 157.41 29.52 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.136 0.975 . . . . 25.0 108.375 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 m -112.02 16.09 20.39 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.782 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.22 178.04 38.83 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 111.513 -0.635 . . . . 50.0 111.513 178.789 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.75 159.1 18.89 Favored 'Trans proline' 0 CA--C 1.502 -1.105 0 C-N-CA 123.531 2.821 . . . . 50.0 111.76 -174.076 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -84.91 174.33 7.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 N-CA-C 109.847 -0.867 . . . . 50.0 109.847 172.802 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 177.15 152.21 9.72 Favored Glycine 0 C--O 1.219 -0.822 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 177.279 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.91 30.41 1.17 Allowed 'General case' 0 C--O 1.181 -2.5 0 O-C-N 124.246 0.615 . . . . 25.0 111.436 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -73.7 147.58 43.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 25.0 111.097 -173.544 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -167.27 176.48 42.13 Favored Glycine 0 C--O 1.217 -0.946 0 CA-C-O 118.141 -1.366 . . . . 25.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.46 57.8 0.24 Allowed Glycine 0 C--N 1.342 0.864 0 CA-C-O 119.179 -0.79 . . . . 25.0 113.362 -179.824 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 3.3 p -146.04 102.07 3.59 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 119.595 1.698 . . . . 25.0 109.898 -174.015 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.9 tp -144.05 12.39 1.61 Allowed 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 112.906 0.706 . . . . 50.0 112.906 -178.784 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 37.9 mt 64.74 159.25 0.1 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.709 2.004 . . . . 50.0 115.923 178.086 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 27.9 t -152.24 147.68 26.67 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 -178.062 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.41 129.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 123.982 0.802 . . . . 25.0 109.975 179.299 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.93 131.42 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 107.374 -1.343 . . . . 50.0 107.374 178.147 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -122.87 -9.71 8.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.387 1.055 . . . . 25.0 111.884 173.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 45.6 51.47 9.97 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.531 1.132 . . . . 50.0 113.479 177.642 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.0 -8.69 60.18 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 119.997 -1.097 . . . . 25.0 111.483 176.3 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 6.1 p -72.64 148.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 105.505 -2.035 . . . . 25.0 105.505 -179.751 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.2 -72.1 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.248 -1.141 . . . . 25.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -115.2 165.18 13.21 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 119.097 -1.041 . . . . 50.0 109.827 178.564 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.43 -47.02 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.719 -1.215 . . . . 50.0 107.719 176.383 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 15.7 m 41.84 46.65 3.46 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 117.398 2.37 . . . . 25.0 117.398 170.914 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.8 m -83.05 26.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.419 0.688 . . . . 25.0 109.67 173.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.3 pt -122.8 168.16 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 50.0 105.636 -175.184 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 50.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 50.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 50.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 50.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 50.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 50.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 50.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 50.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 50.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 50.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.89 -33.98 76.45 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 50.0 109.691 -179.246 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -25.81 61.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.581 0.956 . . . . 50.0 113.581 175.649 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.99 -13.07 61.88 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.545 -0.722 . . . . 50.0 111.256 179.643 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -81.74 -5.25 57.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.611 -0.514 . . . . 50.0 109.611 176.062 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 119.06 -23.52 8.63 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.084 177.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 73.25 32.53 60.09 Favored Glycine 0 CA--C 1.494 -1.232 0 O-C-N 121.523 -0.986 . . . . 25.0 111.86 179.118 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.66 41.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 114.329 1.233 . . . . 50.0 114.329 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 53.35 51.13 16.01 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 124.538 2.113 . . . . 25.0 112.173 179.369 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 127.023 2.129 . . . . 25.0 113.001 178.056 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 111.49 0.181 . . . . 25.0 111.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.455 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 25.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 25.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 25.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 25.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 25.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 25.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 25.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 25.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 25.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 25.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 25.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 25.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 25.0 110.605 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 25.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 25.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 25.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 25.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 25.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 25.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 25.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.639 0.256 . . . . 25.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 25.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 25.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 25.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 25.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 25.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 25.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 25.0 111.093 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 110.216 -0.29 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 25.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 25.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 25.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 25.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 25.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 25.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 25.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 25.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 25.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 25.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 25.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 25.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 25.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 25.0 110.738 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 25.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 25.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 25.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 25.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 25.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 25.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 25.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 CA--C 1.521 -0.165 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 25.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 25.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 25.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 25.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 25.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 25.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt . . . . . 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 25.0 110.561 176.378 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 25.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 25.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 25.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 25.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 25.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 25.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 25.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 25.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 25.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 25.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 25.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 25.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 25.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 25.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 25.0 109.79 176.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 25.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 25.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 25.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 25.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 25.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 25.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 25.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 25.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 25.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 25.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 25.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 25.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 25.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 25.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 25.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 25.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 25.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 25.0 110.404 176.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 25.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 25.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 25.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 25.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 25.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 25.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 25.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 25.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' HE2' HD22 ' A' ' 37' ' ' LEU . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 25.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 25.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 25.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 25.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 23' ' ' ALA . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 25.0 110.905 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 25.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 25.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 25.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 25.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 25.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 25.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 25.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 25.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 25.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 110.362 -0.236 . . . . 25.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 25.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 25.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 25.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 25.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 25.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 25.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 25.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 25.0 109.948 175.275 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 25.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 25.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 25.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 25.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 25.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 25.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 25.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 25.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 25.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 25.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 25.0 110.999 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 25.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 25.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 25.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 25.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 25.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 25.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 25.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 25.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 25.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 25.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 25.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 25.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 25.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 25.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 25.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 25.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 25.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 25.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 25.0 110.261 176.468 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.546 0.202 . . . . 25.0 111.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 25.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 25.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 25.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 25.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 25.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 25.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 25.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 25.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 25.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 25.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 25.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 25.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 25.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 25.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 25.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 25.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 25.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 25.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 25.0 110.88 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 25.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 25.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 25.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 25.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 25.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 25.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 25.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 25.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 25.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 25.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 25.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 25.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 25.0 110.137 175.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 25.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.21 177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 25.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 25.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 25.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 25.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 25.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HE2' HD22 ' A' ' 37' ' ' LEU . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 25.0 110.143 -178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 25.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 25.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 25.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 25.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 25.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 25.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 25.0 110.862 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 25.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 25.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 25.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 25.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 25.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 25.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 25.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 25.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.77 0.319 . . . . 25.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 25.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 25.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 25.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 25.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 25.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 25.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 25.0 110.309 176.76 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 25.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 25.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 25.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 25.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 25.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 25.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 25.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 25.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 25.0 109.195 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 25.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 25.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 25.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 25.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 25.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 25.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 25.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 25.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 25.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 25.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 25.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 25.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 25.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 25.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 25.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 25.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 25.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 25.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 25.0 110.492 176.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.68 0.276 . . . . 25.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 25.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 25.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 25.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 25.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 25.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 25.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 25.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 25.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 25.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 25.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 25.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 25.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 25.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 25.0 109.713 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 25.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 25.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 25.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 25.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 25.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 25.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 25.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 25.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 25.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 25.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 25.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 25.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 25.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 25.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 25.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 25.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 174.41 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 25.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 25.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 25.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 25.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 25.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 25.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 25.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 25.0 110.009 -177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 25.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 25.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 25.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 25.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 25.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 23' ' ' ALA . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 25.0 110.967 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 25.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 25.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 25.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 25.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 25.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 25.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 25.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 25.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 25.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 25.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 25.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 25.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 25.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 25.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 25.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 25.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 25.0 109.693 175.827 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 25.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 45' ' ' HIS . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 25.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 25.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 25.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 25.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 25.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 25.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 25.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 25.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 25.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 25.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 25.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 25.0 110.548 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 25.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 25.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 25.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 15' ' ' THR . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 25.0 110.019 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 25.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 25.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 25.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 25.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 25.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.499 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 25.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 25.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 25.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 25.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 25.0 109.922 172.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 25.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 25.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 25.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.227 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 25.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 25.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 25.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CE2' HD12 ' A' ' 37' ' ' LEU . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.317 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 25.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 25.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 25.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 25.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 25.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 25.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 25.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 27' ' ' TYR . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 25.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 25.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 25.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 19' ' ' PHE . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.137 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 25.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 25.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 25.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 25.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 25.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 25.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 25.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 25.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 25.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 25.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 25.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 25.0 110.642 176.319 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 120.805 0.336 . . . . 25.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 25.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 25.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 25.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 25.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 25.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 25.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 25.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 25.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 25.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 25.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 25.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 23' ' ' ALA . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 25.0 110.857 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 25.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 25.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 25.0 110.833 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 25.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 25.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 25.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 25.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 25.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 25.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 25.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 25.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 25.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 25.0 110.936 176.152 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.951 -0.071 . . . . 25.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 25.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 25.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 25.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 25.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 25.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 25.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 25.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 25.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 25.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 25.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 25.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 25.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 25.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 25.0 110.791 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 25.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 25.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 25.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 25.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 25.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 25.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 25.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 25.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 25.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 25.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 25.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 25.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 25.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 25.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 25.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.014 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 25.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 25.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 25.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 25.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 25.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 25.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 25.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 25.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 25.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 25.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 25.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 25.0 110.903 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 25.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 25.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 25.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 25.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 25.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 25.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 25.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 25.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 25.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.655 0.264 . . . . 25.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 25.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 25.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 25.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 25.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 25.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 25.0 110.265 176.906 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 25.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 25.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 25.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 25.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 25.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 25.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 25.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 25.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 25.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 25.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 25.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 25.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 25.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 25.0 110.65 175.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 25.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 25.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 HG11 ' B' ' 171' ' ' VAL . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 25.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 25.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 25.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 25.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 25.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 25.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 25.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 25.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.74 0.305 . . . . 25.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 25.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 25.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 25.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 25.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 25.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 25.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 25.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 171' ' ' VAL . . . . . 0.4 HG11 HD21 ' A' ' 41' ' ' LEU . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 25.0 109.602 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 25.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 25.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 25.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 25.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 25.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 25.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 25.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 25.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.61 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 25.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 25.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 25.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 25.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 25.0 110.731 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 25.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 25.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 25.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 25.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 25.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 25.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 25.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 111.652 0.242 . . . . 25.0 111.652 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 25.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 25.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 159' ' ' VAL . . . . . 0.403 HG12 ' H ' ' B' ' 159' ' ' VAL . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 25.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 25.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 25.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 25.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 25.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 25.0 110.724 175.764 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 25.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 25.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 25.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 25.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 25.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 25.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 25.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 25.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 25.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 25.0 111.164 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 25.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 25.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 25.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 25.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 25.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 25.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 25.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 25.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 25.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 25.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 25.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 25.0 110.182 176.595 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 25.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 25.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' B' ' 155' ' ' ILE . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 25.0 109.719 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 25.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 25.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 25.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 25.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 25.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 25.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 25.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 25.0 111.226 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 25.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 33' ' ' GLN . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.46 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 25.0 110.095 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 25.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 25.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 25.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 25.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 25.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 25.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 25.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 25.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 25.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 155' ' ' ILE . . . . . 0.408 HD13 HD23 ' A' ' 11' ' ' LEU . 35.3 pt . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 120.355 0.121 . . . . 25.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 25.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 25.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 25.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 25.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 25.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 25.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt . . . . . 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 25.0 110.574 174.811 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' B' ' 155' ' ' ILE . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 25.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 25.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 25.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 25.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 25.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 25.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' HE2' HD22 ' A' ' 37' ' ' LEU . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 25.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 25.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 25.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 25.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 25.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 25.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 25.0 110.708 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 25.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 25.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 25.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 25.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 25.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 25.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 25.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 25.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 25.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 155' ' ' ILE . . . . . 0.449 HD12 ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 25.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 25.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 25.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 25.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 25.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 175.312 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 119.828 -0.129 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 25.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 25.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 25.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 25.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 25.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 25.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 25.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 25.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 25.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 25.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 25.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 25.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 23' ' ' ALA . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 25.0 110.732 176.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 25.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 25.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 25.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 25.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 25.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 25.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 25.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.568 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 25.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.216 -0.665 0 N-CA-C 111.262 0.097 . . . . 25.0 111.262 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 173.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 25.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 25.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 25.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt . . . . . 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 25.0 110.236 174.869 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 25.0 110.994 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 25.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 25.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 25.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 25.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 25.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 25.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 25.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 25.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 25.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 25.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 25.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 25.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 25.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 25.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 25.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 25.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 25.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 25.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 25.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 25.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 25.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 25.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 25.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 25.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 25.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 25.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 25.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 25.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 25.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 25.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 25.0 110.937 174.996 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 25.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 25.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 25.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 25.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 25.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 25.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 25.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 25.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 25.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 25.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 25.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 25.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 25.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 25.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 25.0 110.861 178.079 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 25.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 25.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 25.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 25.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 25.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 25.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 25.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 25.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 25.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 25.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.159 -0.312 . . . . 25.0 110.159 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 25.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 25.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 25.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 25.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 25.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 174.749 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 25.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 25.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 25.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HE2' HD22 ' A' ' 37' ' ' LEU . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 25.0 110.035 -177.055 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 25.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 25.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 25.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 25.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 25.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 25.0 110.303 173.529 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 25.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 25.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 25.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 25.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 25.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 25.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 25.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.661 0.267 . . . . 25.0 111.679 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 25.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 25.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 25.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 25.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 25.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 25.0 110.231 175.833 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 25.0 111.191 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 25.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 25.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 25.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 25.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 25.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 25.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 25.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 25.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 25.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 25.0 110.284 -173.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 25.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 25.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 25.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 25.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 25.0 110.093 177.65 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 25.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 25.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 25.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 25.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 25.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 25.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 25.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 25.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 25.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 25.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 25.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 25.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 25.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 25.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 25.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 25.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 25.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 25.0 110.457 176.168 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 25.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 25.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 25.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 25.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 25.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 25.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 25.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 25.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 25.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 25.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 25.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 25.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 25.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 25.0 110.51 178.244 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 25.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 25.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 171' ' ' VAL . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.058 -179.619 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 25.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 25.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 25.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 25.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 25.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 25.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 25.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 25.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 25.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 25.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 25.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 25.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 25.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 171' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 41' ' ' LEU . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm . . . . . 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 25.0 109.424 175.604 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 25.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 25.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 25.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 25.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 25.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 25.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 25.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 25.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 25.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 25.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 25.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 25.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 25.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 25.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 25.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 25.0 110.353 178.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 25.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 25.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 25.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 25.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 25.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 25.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 25.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 25.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 25.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 25.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 25.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 25.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 159' ' ' VAL . . . . . 0.4 ' H ' HG12 ' B' ' 159' ' ' VAL . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 25.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 25.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 25.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 25.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 25.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.514 176.683 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.758 0.281 . . . . 25.0 111.758 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 25.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 25.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 25.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 25.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 25.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 25.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 25.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 25.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 25.0 110.97 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 25.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 25.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 25.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 25.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 25.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 25.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 23' ' ' ALA . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 25.0 109.623 175.075 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 25.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 25.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 25.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 HD22 HD12 ' B' ' 168' ' ' LEU . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 25.0 111.079 -178.274 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 25.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 25.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 25.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 25.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 25.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 25.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 25.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.372 0.13 . . . . 25.0 111.278 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 25.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 25.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 25.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 168' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 41' ' ' LEU . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 25.0 111.847 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 25.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 25.0 111.058 175.503 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 25.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 25.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 25.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 25.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 25.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 25.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 25.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 25.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 25.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 25.0 110.861 -177.805 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 25.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 25.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 25.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 25.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 25.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 25.0 110.517 178.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 25.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 25.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 25.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 25.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 25.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 25.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 25.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 25.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 25.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 25.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 25.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 25.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 25.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 25.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 25.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 25.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 25.0 109.881 177.209 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 25.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 25.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 25.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 25.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 25.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 25.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 25.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 25.0 110.86 -179.176 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 25.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 25.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 25.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 25.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 23' ' ' ALA . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 25.0 110.576 173.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 25.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 25.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 25.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 25.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 25.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 25.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 25.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 25.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 25.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 25.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 25.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 25.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 25.0 110.005 177.586 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--O 1.217 -0.632 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 25.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 25.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 25.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 25.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 25.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 25.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 25.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 25.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 25.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 25.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 25.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 25.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 25.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 25.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 25.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 25.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 23' ' ' ALA . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 25.0 110.248 176.389 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 25.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 25.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 25.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 25.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 25.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 25.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 25.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 25.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 25.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 25.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 25.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 25.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.7 pt . . . . . 0 C--O 1.213 -0.841 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 25.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 25.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 25.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 25.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 25.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 25.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 25.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 25.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 178.163 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 25.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 25.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 25.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 25.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 25.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 25.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 25.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 25.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 25.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 25.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 25.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 25.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 25.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 25.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 25.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 25.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 25.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 25.0 111.091 178.706 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 25.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 25.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 25.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 25.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 25.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 25.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 25.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 25.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 25.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 25.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 25.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 120.317 0.103 . . . . 25.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 25.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 25.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 25.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 25.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 25.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 25.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 25.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 25.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 25.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 25.0 110.329 175.866 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 25.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 25.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 25.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 25.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 25.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 25.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 25.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 25.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 25.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 25.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 25.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 25.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 25.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 25.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 25.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 25.0 111.751 175.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 25.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 25.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 25.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 25.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 25.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 25.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 25.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 25.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 25.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 166' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 25.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 25.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 170' ' ' LYS . . . . . 0.493 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt . . . . . 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 25.0 110.376 177.527 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.446 0.165 . . . . 25.0 110.987 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 25.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 25.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 25.0 111.669 178.678 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 25.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 25.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 25.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 25.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 25.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 25.0 111.075 178.738 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 25.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 33' ' ' GLN . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -178.9 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 25.0 111.191 176.539 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 25.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 25.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 25.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 25.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 25.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 25.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 25.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 25.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 25.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 25.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 25.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 25.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 25.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 25.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 169' ' ' GLU . . . . . 0.501 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 25.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 172' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt . . . . . 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 25.0 110.235 177.161 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.262 0.468 . . . . 25.0 112.262 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 25.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 25.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 25.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 25.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 25.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 25.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 25.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 25.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 25.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 25.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 25.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 25.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 25.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 25.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 25.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 25.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 25.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 25.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 25.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 25.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 25.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt . . . . . 0 C--O 1.203 -1.347 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 25.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 25.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 25.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 25.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 176.894 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 25.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 25.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 25.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 25.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 25.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 25.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 25.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 25.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 25.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 25.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 25.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 25.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 25.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 25.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 25.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 25.0 110.967 177.17 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 25.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 25.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 25.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 25.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 25.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 25.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 25.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 25.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 25.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 25.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 25.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 25.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 25.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 175.009 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 25.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 25.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 25.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 25.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 25.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 25.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 25.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 25.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 25.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 25.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 25.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 25.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 25.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 25.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 25.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 25.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 25.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 25.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 25.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 25.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 25.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 25.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 25.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 25.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 25.0 111.957 178.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 25.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 25.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 25.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 25.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 25.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 25.0 109.942 176.43 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.21 -1.023 0 N-CA-C 109.654 -0.498 . . . . 25.0 109.654 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 25.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 25.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 25.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 25.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 25.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 25.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 25.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 25.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 25.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 25.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 25.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 25.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 25.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 25.0 110.128 177.785 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 25.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 25.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 25.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 25.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 25.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 25.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 25.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 25.0 112.206 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 25.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 25.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 25.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 25.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 25.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 25.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 175.244 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 120.687 0.28 . . . . 25.0 110.792 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 25.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 25.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 25.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 25.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 25.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 25.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 25.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 25.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 25.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 25.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 25.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 25.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 25.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 25.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 25.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 25.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 25.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.701 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 178.12 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 25.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 25.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 25.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 25.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 25.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 25.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 25.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 25.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 25.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 25.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 25.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 25.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 25.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 25.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 25.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 25.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 25.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 25.0 109.306 175.761 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 25.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 25.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 25.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 25.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 25.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 25.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 25.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 25.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 25.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 25.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 25.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 25.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 25.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 25.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 25.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 25.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 25.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 25.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 25.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 25.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 25.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 25.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 25.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 25.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 25.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 25.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--O 1.235 0.328 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 25.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 25.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 25.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 25.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 25.0 109.387 175.287 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 25.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 25.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 25.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 25.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 25.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 25.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 25.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 25.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 25.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 25.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 25.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 25.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 25.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 25.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 25.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.06 178.726 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 25.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 25.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 25.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 25.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 25.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 25.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 25.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 25.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 25.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 25.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 25.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 25.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 25.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 25.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 174.132 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.926 0.87 . . . . 25.0 111.672 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 25.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 25.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 25.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 25.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 25.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 25.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 25.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 25.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 25.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 25.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 25.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 25.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 25.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 25.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 25.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 25.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 25.0 110.175 -179.156 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 25.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 25.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 25.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 25.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 25.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 25.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 25.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 25.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 25.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 25.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 25.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 25.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt . . . . . 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 25.0 109.708 178.055 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 111.361 0.134 . . . . 25.0 111.361 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 25.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 25.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 25.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 25.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 25.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 25.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 25.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 25.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 25.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 25.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 25.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 25.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 25.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 25.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 25.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 25.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 25.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 25.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 25.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 25.0 110.477 178.745 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 25.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 25.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 25.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 25.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 25.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 25.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 25.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 25.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 25.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 25.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 25.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 25.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 25.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 25.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 25.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt . . . . . 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 25.0 111.543 177.266 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.124 0.488 . . . . 25.0 110.447 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 25.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 25.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 25.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 25.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 25.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 25.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 25.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 25.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 25.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 25.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 25.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 25.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 25.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 25.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 25.0 111.612 178.15 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 25.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 25.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 25.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 25.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 25.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 25.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 25.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 25.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 25.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 25.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 25.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--O 1.257 1.456 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 25.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 25.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 25.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 25.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 25.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 25.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 25.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 25.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 25.0 110.305 175.071 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 82.8 tttt . . . . . 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 25.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 25.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' HE2' ' A' ' 4' ' ' LYS . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 25.0 110.362 -175.119 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD23 HD13 ' B' ' 155' ' ' ILE . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.775 -178.287 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 25.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 25.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 25.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 25.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 25.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 25.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.771 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 25.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 25.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 25.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 25.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 25.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 25.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 25.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 25.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 25.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 25.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 179.728 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 25.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 25.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 25.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 25.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 25.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 25.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 25.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 155' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 11' ' ' LEU . 17.3 pt . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 25.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 25.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 25.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 25.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 25.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 25.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 25.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 25.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 25.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.691 -179.246 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 115.269 1.581 . . . . 25.0 115.269 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 57.48 24.39 10.21 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.413 1.485 . . . . 25.0 112.326 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -58.13 -22.24 50.16 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -64.81 -33.85 76.96 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.478 -0.764 . . . . 25.0 111.49 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.455 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 25.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 25.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 25.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 25.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 25.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 25.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 25.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 25.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 25.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 25.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 25.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 25.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 25.0 110.605 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 25.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 25.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 25.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 25.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 25.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 25.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 25.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.67 -39.69 85.33 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.84 -28.19 64.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.99 -47.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 25.0 111.24 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.31 -28.84 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.524 0.678 . . . . 25.0 109.216 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.92 -42.31 76.99 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.409 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.45 96.23 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.75 -42.18 97.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 25.0 110.032 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -62.97 -44.35 96.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.693 0.282 . . . . 25.0 111.132 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.62 -37.35 87.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.102 -0.374 . . . . 25.0 111.016 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.11 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.676 0.274 . . . . 25.0 111.373 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.73 -24.52 49.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.978 0.418 . . . . 25.0 110.432 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.35 -54.91 3.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 44.4 37.71 2.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.135 0.974 . . . . 25.0 112.928 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -114.39 25.86 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 25.0 112.286 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 52.76 36.71 21.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.743 1.259 . . . . 25.0 110.131 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 . . . . . 0 C--O 1.211 -0.923 0 CA-C-O 124.132 1.92 . . . . 25.0 109.955 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 123.807 1.782 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.73 35.62 24.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.074 -2.063 . . . . 25.0 111.995 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 28.0 ptm -69.42 147.1 51.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 25.0 110.06 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 81.7 t -135.56 134.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -135.64 146.43 47.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.32 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -138.66 165.77 26.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.194 -1.78 . . . . 25.0 106.194 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 37.5 m -144.39 147.27 33.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -149.82 139.05 21.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.999 -2.593 . . . . 25.0 103.999 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.92 129.48 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 p -137.78 116.0 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 105.55 -2.018 . . . . 25.0 105.55 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.81 175.05 13.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.46 153.55 42.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.35 33.45 2.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 114.255 0.462 . . . . 25.0 114.255 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.65 3.91 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p 47.11 44.04 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.922 -1.035 . . . . 25.0 113.768 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.06 127.59 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.154 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.38 149.92 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 103.958 -2.608 . . . . 25.0 103.958 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 107.84 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.86 0 C-N-CA 128.366 2.667 . . . . 25.0 113.985 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.53 150.52 69.73 Favored 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 112.629 -4.448 . . . . 25.0 111.901 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.66 119.15 44.81 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.869 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.71 145.36 36.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 116.338 -1.974 . . . . 25.0 111.911 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 pp -156.32 158.93 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt 98.29 -52.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.43 0 C-N-CA 128.237 2.615 . . . . 25.0 118.009 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -61.38 130.19 31.07 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 113.634 -3.778 . . . . 25.0 112.695 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.33 22.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.598 0.713 . . . . 25.0 109.313 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 34.0 t -83.27 119.73 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.011 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -129.14 158.47 72.8 Favored Pre-proline 0 C--O 1.24 0.567 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.59 156.32 61.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.122 -1.452 . . . . 25.0 113.042 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.3 t -142.28 152.58 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -131.68 22.21 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 129.58 -163.21 22.74 Favored Glycine 0 C--O 1.235 0.168 0 N-CA-C 109.356 -1.498 . . . . 25.0 109.356 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.56 155.39 69.16 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.283 1.541 . . . . 25.0 111.486 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.35 6.99 3.97 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 114.627 0.972 . . . . 25.0 114.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.96 -163.48 50.93 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 109.987 -1.245 . . . . 25.0 109.987 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -148.3 40.03 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.951 -1.5 . . . . 25.0 106.951 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -107.74 -0.84 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.967 -1.015 . . . . 25.0 112.274 -168.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.88 -160.08 53.89 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.15 154.12 25.38 Favored Glycine 0 CA--C 1.508 -0.405 0 N-CA-C 106.594 -2.603 . . . . 25.0 106.594 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.0 m 50.08 42.47 24.95 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 117.369 0.584 . . . . 25.0 111.447 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.42 59.44 5.06 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.419 1.104 . . . . 25.0 110.25 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.92 160.24 25.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.608 -1.178 . . . . 25.0 108.086 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.8 p -146.51 157.91 43.82 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.866 -1.902 . . . . 25.0 105.866 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.45 133.96 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.78 122.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.1 p -107.4 -9.2 16.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 122.696 1.236 . . . . 25.0 109.601 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.46 29.28 5.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 111.941 -2.39 . . . . 25.0 114.253 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.78 40.37 2.98 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.061 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.85 103.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.099 0.476 . . . . 25.0 110.272 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 123.4 43.91 0.34 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.584 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.41 145.8 55.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp 59.45 -83.88 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.804 1.779 . . . . 25.0 115.804 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.3 m -154.96 85.92 1.1 Allowed 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.236 0.614 . . . . 25.0 109.482 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.1 p -87.17 28.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 122.404 1.097 . . . . 25.0 109.959 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt -141.21 166.62 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.348 -0.842 . . . . 25.0 110.679 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 25.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 25.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 25.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 25.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 25.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 25.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -64.07 -33.79 76.56 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 25.0 111.093 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.93 -27.78 43.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.17 -33.18 75.18 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.773 0.796 . . . . 25.0 108.876 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -65.17 -30.83 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.527 -1.215 . . . . 25.0 111.204 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 153.43 130.34 1.47 Allowed Glycine 0 C--O 1.223 -0.579 0 C-N-CA 121.328 -0.463 . . . . 25.0 113.019 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -83.82 16.57 31.06 Favored Glycine 0 C--O 1.222 -0.61 0 O-C-N 122.259 -0.553 . . . . 25.0 113.852 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.85 -0.33 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.986 0.898 . . . . 25.0 110.908 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -138.85 94.64 2.85 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.75 -1.113 . . . . 25.0 109.025 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 124.94 2.305 . . . . 25.0 110.787 -178.698 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 123.973 1.844 . . . . 25.0 113.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -64.53 -27.94 69.31 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 120.413 -1.429 . . . . 25.0 110.764 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.41 -34.86 78.65 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.961 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -75.97 -35.93 59.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.187 0.449 . . . . 25.0 110.216 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 25.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 25.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 25.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 25.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 25.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 25.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 25.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 25.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 25.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 25.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 25.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 25.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 25.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 25.0 110.738 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 25.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 25.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 25.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 25.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 25.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 25.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 25.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -61.08 -40.93 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.19 -34.86 79.06 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.979 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -72.73 -48.74 44.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.83 -0.348 . . . . 25.0 111.81 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.84 -29.24 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.478 0.656 . . . . 25.0 109.579 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.0 tp -69.47 -43.42 73.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.73 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.28 97.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.0 -41.52 97.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.399 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -62.21 -46.64 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.73 0.3 . . . . 25.0 111.031 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.52 -35.76 81.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.051 -0.405 . . . . 25.0 111.552 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.93 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.17 -30.0 54.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.24 -54.85 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.53 22.03 1.42 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.265 1.026 . . . . 25.0 113.492 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -117.92 41.49 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.871 -0.518 . . . . 25.0 110.991 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 55.8 39.39 30.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.959 1.361 . . . . 25.0 110.159 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 . . . . . 0 C--O 1.214 -0.78 0 C-N-CA 125.049 1.34 . . . . 25.0 109.439 -177.396 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 123.019 1.344 . . . . 25.0 115.419 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.07 18.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.626 -0.926 . . . . 25.0 108.873 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.2 ptp -130.07 149.91 51.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.83 123.62 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -118.93 130.1 55.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.76 92.26 2.05 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.09 134.01 25.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -159.93 155.63 25.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 104.316 -2.476 . . . . 25.0 104.316 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.08 36.12 1.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 49.67 44.69 24.66 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 m -77.48 59.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.882 0.849 . . . . 25.0 112.925 -177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.72 78.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 22.4 ptp -153.14 165.43 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.414 -0.588 . . . . 25.0 109.414 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.84 130.19 5.49 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -78.63 -52.72 8.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 25.0 111.984 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 31.5 p 57.54 14.17 2.2 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.32 123.96 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.408 0.623 . . . . 25.0 110.393 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.89 113.41 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.29 -48.61 87.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -76.81 84.69 1.87 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 115.926 -2.249 . . . . 25.0 114.912 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 57.16 82.3 0.24 Allowed Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.41 3.93 6.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 N-CA-C 115.045 1.133 . . . . 25.0 115.045 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -102.21 149.35 24.39 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.323 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 9.3 pttt 86.64 -14.66 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.482 0 N-CA-C 121.336 3.828 . . . . 25.0 121.336 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.97 112.91 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.034 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 72.1 p -134.24 172.67 12.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.3 t -144.98 121.02 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.609 -2.367 . . . . 25.0 104.609 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.42 81.36 64.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 25.0 110.877 -171.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.5 147.03 45.51 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.034 -0.844 . . . . 25.0 112.806 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 44.8 p -123.0 11.73 9.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.171 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -66.22 141.68 57.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.58 171.4 41.5 Favored Glycine 0 C--O 1.235 0.211 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.0 155.48 38.41 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 CA-C-N 119.273 1.537 . . . . 25.0 112.988 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.37 152.05 49.01 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 117.475 -1.217 . . . . 25.0 112.327 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.75 48.87 0.94 Allowed Glycine 0 C--O 1.223 -0.578 0 CA-C-N 116.499 -0.319 . . . . 25.0 112.443 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -123.9 75.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.77 155.87 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.23 -153.84 36.14 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 121.406 -0.426 . . . . 25.0 113.609 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 83.62 -10.11 60.38 Favored Glycine 0 C--O 1.225 -0.422 0 N-CA-C 116.023 1.169 . . . . 25.0 116.023 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 50.1 m -109.61 91.39 3.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.557 0.678 . . . . 25.0 111.874 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -146.38 89.82 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.72 143.27 35.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.555 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.8 p -157.35 164.52 37.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 105.396 -2.076 . . . . 25.0 105.396 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.67 131.89 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.7 120.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.5 t -130.97 -0.33 4.19 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.402 1.096 . . . . 25.0 111.694 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.61 21.14 0.53 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.828 -1.533 . . . . 25.0 113.934 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.29 29.64 3.89 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 114.339 0.495 . . . . 25.0 114.339 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.7 p -151.22 142.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 158.14 -77.05 0.19 Allowed Glycine 0 C--O 1.23 -0.137 0 N-CA-C 110.066 -1.214 . . . . 25.0 110.066 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -70.12 161.14 30.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.04 0.447 . . . . 25.0 110.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 41.5 tp -122.3 -80.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.488 0.661 . . . . 25.0 111.135 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.4 p -148.72 108.24 3.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.64 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.66 27.32 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 105.91 -1.885 . . . . 25.0 105.91 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.19 171.4 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 113.409 -1.723 . . . . 25.0 108.51 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 25.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 25.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 25.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 25.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 25.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 25.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.48 -32.71 74.23 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 25.0 110.561 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.93 -36.7 41.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.88 -17.33 63.35 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.342 0.592 . . . . 25.0 109.9 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -73.81 -11.47 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.573 -0.739 . . . . 25.0 112.293 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -108.25 -87.53 1.91 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.075 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.48 -43.7 2.59 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 114.065 0.386 . . . . 25.0 114.065 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.41 0.38 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.48 67.57 8.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.393 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . 0.346 7.5 p . . . . . 0 N--CA 1.494 1.767 0 C-N-CA 127.897 2.479 . . . . 25.0 116.844 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 124.463 2.078 . . . . 25.0 114.746 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -86.11 144.44 27.52 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 119.875 -1.766 . . . . 25.0 108.742 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.8 -34.24 72.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.173 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.22 -32.32 69.84 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 25.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 25.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 25.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 25.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 25.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 25.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 25.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 25.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 25.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 25.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 25.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 25.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 25.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 25.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 25.0 109.79 176.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 25.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 25.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 25.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 25.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 25.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 25.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 25.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 25.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 25.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 25.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.0 -40.68 94.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -67.41 -32.97 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.16 -0.216 . . . . 25.0 111.447 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -72.99 -48.3 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 122.078 -0.389 . . . . 25.0 111.288 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.44 -30.46 70.82 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.426 0.631 . . . . 25.0 109.53 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.24 -42.76 79.24 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.396 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.93 97.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.39 -42.58 96.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 25.0 110.019 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.35 -43.84 96.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.179 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -64.88 -36.47 84.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.252 -0.28 . . . . 25.0 110.915 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -26.95 64.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.859 -0.155 . . . . 25.0 111.122 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 -40.22 30.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.184 0.516 . . . . 25.0 110.387 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.9 -52.04 16.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 52.75 24.02 3.02 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.391 1.626 . . . . 25.0 115.391 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -103.1 34.28 2.95 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 43.62 57.53 3.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.011 1.486 . . . . 25.0 115.011 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.569 1.652 . . . . 25.0 110.756 176.165 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 122.697 1.165 . . . . 25.0 115.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.01 163.78 31.48 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.1 mtm -127.8 146.32 50.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.5 125.14 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.33 6.92 7.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.236 1.017 . . . . 25.0 112.105 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.89 132.66 42.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.859 -1.064 . . . . 25.0 112.346 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -139.37 59.88 1.59 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -66.95 146.72 54.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.109 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 137.81 41.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.38 -11.71 61.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.77 98.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.82 -176.28 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.7 ptp -147.16 166.53 26.67 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.099 -1.815 . . . . 25.0 106.099 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.34 6.58 10.74 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 108.992 -1.643 . . . . 25.0 108.992 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -137.84 91.62 2.6 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.761 -1.22 . . . . 25.0 109.58 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.1 p -82.82 -7.15 59.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -133.51 123.03 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 54.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 122.638 1.209 . . . . 25.0 113.063 -174.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.44 -73.81 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 114.486 -1.234 . . . . 25.0 108.026 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.42 178.14 7.74 Favored 'Trans proline' 0 C--N 1.359 1.127 1 C-N-CA 111.729 -5.047 . . . . 25.0 109.495 166.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.57 147.74 95.07 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 106.395 -1.705 . . . . 25.0 106.395 171.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.58 -1.89 7.45 Favored 'Trans proline' 0 C--N 1.352 0.741 0 N-CA-C 116.676 1.76 . . . . 25.0 116.676 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.08 149.79 50.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.262 -0.881 . . . . 25.0 108.925 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -115.51 -58.0 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.17 166.69 26.06 Favored 'Trans proline' 0 C--N 1.359 1.096 1 C-N-CA 112.479 -4.547 . . . . 25.0 109.123 167.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -71.26 116.35 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 t -133.51 29.29 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.385 1.088 . . . . 25.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -150.36 90.78 4.28 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 113.657 -1.611 . . . . 25.0 107.375 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.99 144.67 15.14 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 117.121 -1.452 . . . . 25.0 115.724 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 38.9 p -93.39 -5.3 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.531 -0.759 . . . . 25.0 109.496 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.8 m 59.88 -166.15 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.777 0.831 . . . . 25.0 112.94 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.5 172.81 20.28 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 110.377 -1.089 . . . . 25.0 110.377 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.65 158.48 50.59 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 CA-C-N 118.884 1.342 . . . . 25.0 112.739 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.57 139.46 44.73 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 117.093 -1.471 . . . . 25.0 112.292 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -100.22 79.5 0.47 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 115.976 -0.556 . . . . 25.0 113.873 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -139.13 118.61 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.596 0.698 . . . . 25.0 110.371 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -151.7 124.04 8.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.441 0.162 . . . . 25.0 110.902 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.46 -165.49 54.77 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.093 -0.575 . . . . 25.0 114.126 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.64 177.48 44.11 Favored Glycine 0 C--O 1.227 -0.283 0 C-N-CA 121.787 -0.244 . . . . 25.0 113.441 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m 50.49 40.09 22.44 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 25.9 tp -128.39 77.1 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.708 . . . . 25.0 110.215 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.7 164.49 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.657 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 74.0 m -153.61 161.09 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.37 157.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 mm -104.16 124.55 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 79.1 p -115.54 -11.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.773 0.797 . . . . 25.0 111.887 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 47.42 27.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.147 -1.842 . . . . 25.0 115.505 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.99 37.99 3.17 Favored Glycine 0 N--CA 1.46 0.274 0 O-C-N 121.753 -0.592 . . . . 25.0 113.846 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.5 p -121.32 147.29 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.648 -1.242 . . . . 25.0 107.648 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -166.45 -101.54 0.15 Allowed Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.808 -0.917 . . . . 25.0 110.808 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 64.86 170.54 0.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.57 1.148 . . . . 25.0 113.34 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 37.5 tp -156.63 142.2 17.63 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.1 m 62.81 95.83 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.25 34.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt -141.7 172.19 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 25.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 25.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 25.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 25.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 25.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 25.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 25.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.8 -40.71 95.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 25.0 110.404 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.05 -19.32 60.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.91 -10.36 56.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 25.0 110.792 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.08 9.59 38.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.0 -161.49 33.14 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.364 -1.095 . . . . 25.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -119.79 -63.78 0.27 Allowed Glycine 0 C--O 1.223 -0.565 0 N-CA-C 117.174 1.63 . . . . 25.0 117.174 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.3 m -92.02 -3.88 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -172.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.34 68.18 7.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.572 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 125.453 2.549 . . . . 25.0 110.954 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 123.517 1.627 . . . . 25.0 114.735 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -136.73 115.58 12.21 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.926 -1.109 . . . . 25.0 109.348 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -57.99 -37.03 73.48 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.02 -33.28 64.76 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 25.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 25.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 25.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 25.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 25.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 25.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 25.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 25.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' HE2' HD22 ' A' ' 37' ' ' LEU . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 25.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 25.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 25.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 25.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 23' ' ' ALA . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 25.0 110.905 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 25.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 25.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 25.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 25.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 25.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 25.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 25.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 25.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 25.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.32 -44.02 88.47 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.84 -33.52 76.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.67 -49.22 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.961 -0.462 . . . . 25.0 110.446 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.83 -29.05 66.22 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.026 -0.67 . . . . 25.0 110.055 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.69 -44.98 80.31 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -42.81 78.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.911 0.386 . . . . 25.0 110.585 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -70.33 -37.17 74.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 25.0 110.612 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -61.36 -39.63 91.3 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.091 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.39 -35.16 79.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.035 -0.416 . . . . 25.0 111.415 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.94 68.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.789 0.328 . . . . 25.0 110.713 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.7 -31.1 61.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.981 0.419 . . . . 25.0 111.193 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.25 -54.67 3.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 50.85 32.6 7.43 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.222 1.009 . . . . 25.0 110.958 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -135.49 21.62 3.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.395 -0.82 . . . . 25.0 112.131 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -133.36 115.48 14.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.776 2.227 . . . . 25.0 111.613 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 123.589 1.661 . . . . 25.0 115.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.74 68.38 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.546 -0.827 . . . . 25.0 111.07 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.0 mtt 52.66 34.64 16.38 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 m -98.3 52.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.653 0.739 . . . . 25.0 109.182 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 68.11 160.97 0.18 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.016 -1.447 . . . . 25.0 114.052 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.9 158.37 37.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -152.69 24.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.41 0.624 . . . . 25.0 111.687 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.2 p -90.48 136.44 33.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.6 mp -90.96 111.27 22.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.19 19.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t 38.76 82.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.55 93.0 0.48 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.019 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.4 ptp -108.85 8.97 26.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.648 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.51 -164.05 15.51 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 109.225 -1.55 . . . . 25.0 109.225 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 56.48 32.91 21.6 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.839 0.828 . . . . 25.0 112.118 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -83.3 33.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.7 p -89.66 142.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.51 0.671 . . . . 25.0 109.477 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.48 91.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.38 -32.18 8.96 Favored Pre-proline 0 CA--C 1.554 1.129 0 N-CA-C 118.124 2.638 . . . . 25.0 118.124 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -80.32 61.39 8.2 Favored 'Trans proline' 0 C--N 1.362 1.275 0 C-N-CA 115.397 -2.602 . . . . 25.0 114.391 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.99 74.6 3.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 123.02 0.528 . . . . 25.0 111.054 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.96 121.79 8.19 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 116.789 -1.674 . . . . 25.0 113.204 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.13 147.09 52.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.6 -45.14 0.25 Allowed Pre-proline 0 N--CA 1.47 0.541 0 N-CA-C 115.915 1.821 . . . . 25.0 115.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.86 -32.68 5.4 Favored 'Trans proline' 0 C--N 1.355 0.889 1 C-N-CA 113.289 -4.007 . . . . 25.0 115.257 -175.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.1 t -169.95 172.43 6.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -147.52 35.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -124.05 129.59 24.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 114.387 -1.279 . . . . 25.0 109.894 -174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.59 126.5 9.63 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 117.629 -1.114 . . . . 25.0 113.375 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.4 p -125.15 22.61 7.86 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.693 0.759 . . . . 25.0 110.246 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.2 p -67.7 142.11 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.47 174.99 27.66 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.763 -0.935 . . . . 25.0 110.763 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -73.69 147.27 39.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 CA-C-N 119.086 1.443 . . . . 25.0 113.979 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -82.53 -176.51 2.96 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 120.441 0.761 . . . . 25.0 111.766 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.71 165.76 27.53 Favored Glycine 0 C--O 1.23 -0.118 0 N-CA-C 108.669 -1.772 . . . . 25.0 108.669 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -150.94 178.27 9.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -129.44 169.56 14.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 174.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -166.12 -172.31 33.31 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 109.864 -1.294 . . . . 25.0 109.864 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.81 160.52 27.45 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 109.909 -1.276 . . . . 25.0 109.909 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.6 t -160.58 -152.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.614 -2.736 . . . . 25.0 103.614 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.0 tp 56.19 52.08 10.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.052 0.941 . . . . 25.0 112.334 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.43 130.36 56.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 58.7 p -152.68 130.59 11.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.21 123.33 23.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.48 -1.304 . . . . 25.0 107.48 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.37 115.25 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.627 -0.508 . . . . 25.0 109.627 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.23 82.73 1.97 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.549 1.166 . . . . 25.0 110.21 177.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -128.32 68.6 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.641 -1.618 . . . . 25.0 109.751 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.25 14.62 76.78 Favored Glycine 0 N--CA 1.462 0.384 0 CA-C-O 122.427 1.015 . . . . 25.0 112.839 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 56.9 t -77.31 107.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 122.223 -0.575 . . . . 25.0 111.017 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.85 30.3 39.45 Favored Glycine 0 CA--C 1.51 -0.274 0 N-CA-C 116.174 1.23 . . . . 25.0 116.174 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -66.7 140.22 57.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.184 0.516 . . . . 25.0 110.6 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.94 133.47 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.65 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.7 m -121.12 82.28 1.9 Allowed 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.12 25.62 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 122.544 1.164 . . . . 25.0 110.047 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt -133.2 166.5 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.362 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 25.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 25.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 25.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 25.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 25.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 25.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 25.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.62 -41.2 96.34 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 25.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.3 -25.72 58.13 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.836 1.051 . . . . 25.0 113.836 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.73 -28.01 69.66 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.629 0.728 . . . . 25.0 109.726 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -78.07 -47.0 19.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.009 -0.996 . . . . 25.0 112.659 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 59.33 -142.13 46.96 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.173 -1.971 . . . . 25.0 108.173 -171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.12 65.02 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 120.713 -0.756 . . . . 25.0 112.708 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.7 p -70.54 -8.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.422 1.106 . . . . 25.0 112.688 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.1 92.04 2.96 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.246 -1.343 . . . . 25.0 107.74 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.152 1.93 . . . . 25.0 113.223 -179.162 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 114.792 1.405 . . . . 25.0 114.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 63.89 123.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.844 2.057 . . . . 25.0 114.075 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -59.51 -28.64 67.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.28 -33.29 70.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 25.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 25.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 25.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 25.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 25.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 25.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 25.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 25.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 25.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 25.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 25.0 110.999 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 25.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 25.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 25.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 25.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 25.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 25.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 25.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 25.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 25.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 25.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 25.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.74 -44.51 90.55 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.09 -50.85 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.113 -0.367 . . . . 25.0 110.767 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.41 -28.94 66.59 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.609 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.3 -44.76 74.72 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.903 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.03 80.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.677 0.275 . . . . 25.0 110.302 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -64.64 -39.53 93.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.034 0.445 . . . . 25.0 110.408 176.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 25.0 110.626 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.96 -36.71 82.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.998 -0.439 . . . . 25.0 110.915 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.43 65.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.398 0.148 . . . . 25.0 111.398 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -42.32 30.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.163 0.506 . . . . 25.0 110.453 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.56 -49.12 19.56 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 53.18 20.18 1.74 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.399 1.48 . . . . 25.0 113.518 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -88.03 12.53 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.477 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.94 121.39 12.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 123.346 1.546 . . . . 25.0 113.301 -179.088 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 CA-C-O 124.46 2.145 . . . . 25.0 113.679 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.18 60.43 4.31 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 112.937 -1.631 . . . . 25.0 110.952 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 65.9 mtt -82.04 81.15 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.59 116.2 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -105.57 156.05 18.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.48 150.85 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.72 167.46 29.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -145.93 174.5 11.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mp -125.4 156.02 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.98 -14.46 60.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.659 0.266 . . . . 25.0 111.099 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t 54.82 28.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 122.432 1.111 . . . . 25.0 111.836 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.66 66.85 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.803 -1.09 . . . . 25.0 109.939 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 28.2 ptm -110.18 154.09 23.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.38 62.53 0.01 OUTLIER Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.349 -0.929 . . . . 25.0 112.377 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.21 43.53 0.54 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.82 0.848 . . . . 25.0 111.243 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 59.5 p -86.95 44.99 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.324 0.65 . . . . 25.0 112.611 -173.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.29 129.31 37.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.821 -1.548 . . . . 25.0 106.821 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.44 126.49 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.949 0.404 . . . . 25.0 110.634 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 97.82 -60.89 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 N-CA-C 118.037 2.606 . . . . 25.0 118.037 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.72 140.47 23.6 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.183 -4.745 . . . . 25.0 114.578 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.33 139.0 11.93 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.81 152.52 41.85 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 116.304 -1.998 . . . . 25.0 111.042 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 99.4 mt -109.0 141.23 41.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 48.8 tttp 100.67 -48.63 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 128.659 2.784 . . . . 25.0 115.485 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.93 163.16 39.15 Favored 'Trans proline' 0 C--N 1.356 0.948 1 C-N-CA 112.033 -4.844 . . . . 25.0 109.599 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -129.13 -4.96 4.96 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.7 p -170.03 165.85 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -141.94 126.31 10.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.3 123.25 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 117.552 -1.165 . . . . 25.0 114.736 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 42.8 p -120.39 100.85 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -155.52 172.1 18.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -165.49 171.51 40.76 Favored Glycine 0 C--O 1.236 0.234 0 N-CA-C 109.753 -1.339 . . . . 25.0 109.753 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.9 158.29 38.7 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 CA-C-N 119.249 1.524 . . . . 25.0 113.014 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.51 151.88 59.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.556 -1.163 . . . . 25.0 111.659 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.33 49.12 0.5 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 120.862 -0.685 . . . . 25.0 114.375 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.65 122.56 17.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.254 0.527 . . . . 25.0 110.03 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -166.35 170.54 12.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.03 -151.8 18.26 Favored Glycine 0 C--O 1.221 -0.673 0 CA-C-N 117.827 0.285 . . . . 25.0 112.435 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 87.46 1.38 83.62 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 115.53 0.972 . . . . 25.0 115.53 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -97.25 93.26 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.044 -0.68 . . . . 25.0 109.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.53 35.22 4.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.924 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.8 mt -89.73 156.18 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.925 -0.58 . . . . 25.0 111.053 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 84.3 p -153.48 170.09 21.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.46 132.11 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.2 mm -104.01 125.58 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 23.1 p -117.01 75.19 0.95 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.213 1.483 . . . . 25.0 110.555 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -139.61 28.88 2.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 111.736 -2.484 . . . . 25.0 109.907 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -130.5 52.22 0.84 Allowed Glycine 0 C--O 1.226 -0.368 0 CA-C-N 115.481 -0.781 . . . . 25.0 113.214 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.35 150.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.35 -114.66 1.59 Allowed Glycine 0 C--O 1.223 -0.576 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -38.25 86.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.803 0.335 . . . . 25.0 111.628 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp 65.71 -52.6 0.38 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.646 2.091 . . . . 25.0 116.646 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 22.7 m 48.05 56.3 7.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 19.95 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-O 122.306 1.051 . . . . 25.0 110.538 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt -140.04 167.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 123.64 0.776 . . . . 25.0 109.306 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 25.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 25.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 25.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 25.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 25.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 25.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 25.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.2 -33.58 75.67 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 25.0 110.261 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.09 -19.48 66.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.19 0.995 . . . . 25.0 109.229 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -92.58 29.57 1.71 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.705 -1.134 . . . . 25.0 109.912 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.67 -42.47 3.12 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.088 -0.505 . . . . 25.0 113.801 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 85.3 15.99 65.46 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 108.69 -1.764 . . . . 25.0 108.69 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.85 56.93 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.708 0.766 . . . . 25.0 110.504 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.53 41.24 32.08 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.352 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 125.609 2.623 . . . . 25.0 112.234 -179.072 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.508 2.425 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.93 -24.88 67.25 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.785 -1.197 . . . . 25.0 112.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -61.42 -36.13 79.47 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 120.676 0.275 . . . . 25.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.35 -33.33 69.43 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.031 -0.418 . . . . 25.0 111.546 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 25.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 25.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 25.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 25.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 25.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 25.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 25.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 25.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 25.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 25.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 25.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 25.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 25.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 25.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 25.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 25.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 25.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 25.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 25.0 110.88 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 25.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 25.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 25.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 25.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 25.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 25.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 25.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 25.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 25.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -58.47 -44.22 89.2 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.23 -32.26 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.58 -49.28 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 122.128 -0.358 . . . . 25.0 110.563 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.51 -29.43 65.93 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.465 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.24 -43.99 85.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.489 -0.559 . . . . 25.0 109.489 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.48 77.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.429 -0.35 . . . . 25.0 110.54 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -68.48 -35.8 78.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.999 0.428 . . . . 25.0 110.751 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -39.98 94.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.954 0.407 . . . . 25.0 110.24 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -68.86 -32.52 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.224 -0.298 . . . . 25.0 111.056 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.68 -30.3 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.226 -0.296 . . . . 25.0 110.759 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.53 58.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.788 0.328 . . . . 25.0 110.823 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -89.32 -54.23 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 52.12 22.79 2.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.416 1.086 . . . . 25.0 113.067 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -101.2 22.96 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.499 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 56.73 38.54 29.59 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 123.19 1.471 . . . . 25.0 108.19 -172.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 123.968 1.842 . . . . 25.0 109.538 -177.295 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 CA-C-O 122.657 1.143 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.34 37.56 3.53 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.845 -0.797 . . . . 25.0 109.962 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.8 mtp -131.75 137.83 48.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 m -146.21 154.7 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.738 -1.579 . . . . 25.0 106.738 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -130.66 134.02 46.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.93 92.05 2.41 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.013 0.435 . . . . 25.0 111.614 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 -72.7 109.52 6.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.82 59.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.331 0.586 . . . . 25.0 110.94 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.07 163.83 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.09 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.98 139.38 29.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -91.39 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.794 0.807 . . . . 25.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.44 79.21 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.076 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 14.1 mmt -126.87 143.58 51.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.31 170.19 19.23 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 107.333 -2.307 . . . . 25.0 107.333 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -69.58 -34.1 73.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.952 0.876 . . . . 25.0 111.667 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 57.3 p 41.49 48.52 3.41 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.89 113.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.977 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.97 87.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.66 -43.83 99.36 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.04 18.71 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 115.615 -2.456 . . . . 25.0 115.558 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.03 117.9 33.99 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 121.799 -0.563 . . . . 25.0 111.071 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.83 146.69 38.29 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 116.126 -2.116 . . . . 25.0 112.458 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -91.33 146.52 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.253 10.1 pttt 85.56 -15.33 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 121.434 3.864 . . . . 25.0 121.434 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -81.26 -160.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 113.574 -3.817 . . . . 25.0 109.814 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.3 m 63.38 40.89 8.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.841 0.829 . . . . 25.0 111.594 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -67.6 132.84 48.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -113.34 89.47 14.82 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 120.964 0.411 . . . . 25.0 110.737 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -73.51 142.38 32.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 116.112 -2.125 . . . . 25.0 111.524 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -153.07 173.65 15.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -146.63 157.05 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -81.14 164.8 46.39 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.717 -0.754 . . . . 25.0 112.498 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.19 164.43 33.01 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-N 118.447 1.124 . . . . 25.0 112.238 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.17 163.58 38.07 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.662 -1.092 . . . . 25.0 111.969 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.14 -151.46 6.01 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 110.983 -0.847 . . . . 25.0 110.983 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.2 33.42 22.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.0 0.92 . . . . 25.0 112.542 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -127.11 96.9 4.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 164.81 -178.96 39.74 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.12 -1.192 . . . . 25.0 110.12 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.42 -178.33 47.73 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 108.412 -1.875 . . . . 25.0 108.412 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.0 t -160.13 145.17 14.93 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 103.73 -2.693 . . . . 25.0 103.73 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -122.88 11.9 9.7 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.966 -1.015 . . . . 25.0 108.632 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.2 mt 58.67 -164.82 0.19 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 113.527 -1.67 . . . . 25.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 34.3 t -155.03 162.63 41.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.75 148.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.39 137.89 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -154.55 128.74 8.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 100.544 -3.873 . . . . 25.0 100.544 173.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -141.66 30.27 1.7 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.403 -1.726 . . . . 25.0 107.82 -174.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.38 52.31 0.81 Allowed Glycine 0 C--O 1.229 -0.166 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.283 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.36 128.28 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.24 30.12 0.75 Allowed Glycine 0 N--CA 1.465 0.612 0 CA-C-O 122.569 1.094 . . . . 25.0 113.957 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -73.96 169.96 16.37 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.037 -1.081 . . . . 25.0 113.663 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 tp 65.4 112.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 116.915 2.191 . . . . 25.0 116.915 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.0 m -100.05 86.74 3.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 112.862 -1.972 . . . . 25.0 108.154 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 p -88.19 32.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-O 122.885 1.326 . . . . 25.0 109.285 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt -141.43 168.82 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 114.557 -1.202 . . . . 25.0 108.043 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 25.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 25.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 25.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -32.73 74.52 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 25.0 110.137 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.84 -32.3 46.07 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.73 -18.01 62.8 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.99 4.67 11.58 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.357 -0.838 . . . . 25.0 111.243 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 105.06 -29.05 12.33 Favored Glycine 0 C--O 1.223 -0.551 0 N-CA-C 112.436 -0.266 . . . . 25.0 112.436 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.4 10.72 58.02 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 115.015 0.766 . . . . 25.0 115.015 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 19.1 m -101.97 26.0 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.537 0.684 . . . . 25.0 110.981 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.54 75.93 4.09 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.673 0.749 . . . . 25.0 111.276 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--O 1.21 -1.011 0 CA-C-O 124.601 2.143 . . . . 25.0 111.589 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 122.918 1.342 . . . . 25.0 114.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 56.9 21.64 6.33 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.241 1.417 . . . . 25.0 113.621 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -60.22 -24.26 64.7 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -68.82 -33.34 73.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.756 -0.59 . . . . 25.0 111.937 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 25.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.21 177.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 25.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 25.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 25.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 25.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 25.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HE2' HD22 ' A' ' 37' ' ' LEU . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 25.0 110.143 -178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 25.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 25.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 25.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 25.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 25.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 25.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 25.0 110.862 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 25.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 25.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 25.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 25.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 25.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 25.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 25.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 25.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.85 -40.75 94.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.85 -30.73 69.31 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.671 -0.412 . . . . 25.0 111.508 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.76 -47.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 121.918 -0.489 . . . . 25.0 110.876 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.85 -30.67 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.066 -0.654 . . . . 25.0 109.447 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.43 -41.86 88.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 25.0 109.992 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.89 95.57 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.68 -41.94 95.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 25.0 110.856 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.54 -41.55 98.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 25.0 111.296 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -68.6 -33.18 73.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.83 -0.544 . . . . 25.0 111.246 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.01 62.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.503 0.192 . . . . 25.0 111.147 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.68 -34.35 53.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.42 -56.47 4.52 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 49.05 43.81 22.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -116.4 -126.78 0.29 Allowed 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 174.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -120.32 48.05 1.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.022 1.391 . . . . 25.0 108.037 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 123.988 1.852 . . . . 25.0 110.346 -177.675 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.958 0 CA-C-O 124.687 2.27 . . . . 25.0 113.812 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.06 15.53 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 112.922 -1.639 . . . . 25.0 109.292 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mpp? 54.72 52.28 12.41 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 m -87.33 30.85 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.488 0.661 . . . . 25.0 112.176 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 61.54 -166.0 0.22 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.39 1.076 . . . . 25.0 112.451 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.09 166.43 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 57.5 mmm-85 -125.53 111.51 15.14 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.8 m -78.84 157.87 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.237 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.4 mp -90.02 132.94 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.57 46.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.74 54.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.54 0.686 . . . . 25.0 112.015 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.06 -27.1 63.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 61.9 mtm 59.16 -124.38 1.27 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.41 -134.16 1.95 Allowed Glycine 0 C--O 1.217 -0.938 0 CA-C-O 119.203 -0.776 . . . . 25.0 111.454 -173.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 60.59 89.31 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.556 1.17 . . . . 25.0 112.001 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 77.2 p -77.61 20.41 0.32 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -174.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.1 p -105.16 122.58 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.7 t -79.44 102.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.723 0.773 . . . . 25.0 112.373 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 43.99 51.1 7.41 Favored Pre-proline 0 CA--C 1.555 1.173 0 N-CA-C 117.083 2.253 . . . . 25.0 117.083 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -79.35 -24.86 6.15 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 115.377 -2.615 . . . . 25.0 114.647 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -162.37 149.99 11.62 Favored Pre-proline 0 C--O 1.236 0.369 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.27 148.34 30.41 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 117.671 -1.086 . . . . 25.0 112.671 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.5 170.79 21.62 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 94.68 -44.3 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.759 1 N-CA-C 121.918 4.044 . . . . 25.0 121.918 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 122.7 8.81 Favored 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 112.788 -4.341 . . . . 25.0 115.079 -173.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 46.1 p -137.27 6.52 2.81 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.1 p -153.28 151.01 29.53 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.874 -0.517 . . . . 25.0 111.658 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.2 107.98 60.86 Favored Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 123.629 0.58 . . . . 25.0 109.907 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.83 156.45 27.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.5 -1.2 . . . . 25.0 113.031 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.7 t -124.56 17.29 8.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.936 0.874 . . . . 25.0 109.285 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 t -78.12 147.48 34.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.5 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.64 51.58 Favored Glycine 0 C--O 1.24 0.485 0 N-CA-C 109.737 -1.345 . . . . 25.0 109.737 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -68.92 158.87 56.19 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 CA-C-N 118.74 1.27 . . . . 25.0 111.83 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.27 155.34 64.48 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 117.948 -0.902 . . . . 25.0 114.097 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.57 -179.4 46.06 Favored Glycine 0 C--O 1.226 -0.37 0 N-CA-C 106.486 -2.646 . . . . 25.0 106.486 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -134.09 -35.44 0.94 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.546 1.173 . . . . 25.0 113.978 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 37.4 t30 48.47 41.33 16.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.96 149.01 48.78 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.845 -0.902 . . . . 25.0 110.845 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.57 -147.39 9.46 Favored Glycine 0 C--O 1.224 -0.51 0 C-N-CA 120.848 -0.691 . . . . 25.0 111.466 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.1 t 61.83 38.2 14.9 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.751 1.019 . . . . 25.0 113.751 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.23 43.22 3.1 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.611 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 42.7 t -153.36 157.21 39.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 104.637 -2.357 . . . . 25.0 104.637 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.36 129.92 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 48.2 mm -87.73 123.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.34 87.71 2.8 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.495 1.14 . . . . 25.0 110.513 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -136.78 25.05 3.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.575 -1.648 . . . . 25.0 110.603 -173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.9 31.9 6.25 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.873 1.109 . . . . 25.0 115.873 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -130.01 129.72 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 118.034 0.917 . . . . 25.0 109.175 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.06 44.96 0.2 Allowed Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.035 -0.602 . . . . 25.0 113.38 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.7 151.22 40.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.311 -0.523 . . . . 25.0 110.253 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 52.3 tp -136.64 -56.39 0.74 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.814 0.816 . . . . 25.0 112.875 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.5 m -118.55 85.75 2.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.1 -0.954 . . . . 25.0 110.843 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.89 5.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.038 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -142.35 169.5 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.183 -0.917 . . . . 25.0 111.131 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 25.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 25.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 25.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 25.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 25.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 25.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -66.52 -28.44 68.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 25.0 110.309 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -39.35 35.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.97 -17.48 64.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.388 0.613 . . . . 25.0 109.355 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -77.7 11.65 2.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.699 0.8 . . . . 25.0 112.935 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 99.36 11.32 45.38 Favored Glycine 0 C--O 1.224 -0.511 0 O-C-N 121.839 -0.538 . . . . 25.0 114.307 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.63 35.86 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 121.152 -0.547 . . . . 25.0 112.108 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 33.65 63.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -73.76 72.2 1.5 Allowed 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.319 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.527 2.108 . . . . 25.0 111.761 -177.867 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -61.95 -21.01 64.44 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.243 1.017 . . . . 25.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -59.59 -27.05 65.94 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.386 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -59.86 -33.28 71.6 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.857 -0.527 . . . . 25.0 111.956 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 25.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 25.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 25.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 25.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 25.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 25.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 25.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 25.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 25.0 109.195 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 25.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 25.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 25.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 25.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 25.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 25.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 25.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 25.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 25.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 25.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 25.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.69 -42.45 88.56 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -64.09 -34.12 77.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.49 -47.84 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.04 -0.412 . . . . 25.0 110.772 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -71.22 -29.02 64.62 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.238 -0.585 . . . . 25.0 110.411 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.15 -44.11 76.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.906 -0.588 . . . . 25.0 109.89 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.57 82.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.24 -39.42 92.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.803 0.335 . . . . 25.0 110.955 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -60.68 -43.12 98.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.73 0.3 . . . . 25.0 110.259 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.28 -32.63 66.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.273 -0.267 . . . . 25.0 111.497 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.16 75.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.336 -0.228 . . . . 25.0 110.756 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.43 62.9 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.168 0.509 . . . . 25.0 110.351 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.21 -53.31 9.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 44.92 49.04 9.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 25.0 111.951 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 18.95 2.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.805 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.41 107.44 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 124.999 2.333 . . . . 25.0 110.585 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.997 0 CA-C-O 124.278 2.043 . . . . 25.0 113.818 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.12 44.55 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 106.443 -1.688 . . . . 25.0 106.443 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.5 tpp -154.33 152.09 29.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.56 146.18 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 103.557 -2.757 . . . . 25.0 103.557 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -129.26 157.01 43.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.89 8.74 6.3 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 59.55 22.54 11.16 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -80.73 57.58 3.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 59.1 tp -75.96 107.79 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.407 0.622 . . . . 25.0 111.202 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.05 -3.99 47.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.25 104.02 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.382 0.61 . . . . 25.0 111.696 -177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.0 177.32 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.1 mtt -129.76 123.43 30.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.87 -62.25 4.44 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -82.05 50.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.677 0.791 . . . . 25.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.6 p -86.92 12.15 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.496 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -85.64 135.28 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.406 ' O ' ' HD2' ' B' ' 120' ' ' PRO . 17.3 m -127.44 162.46 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 101.209 -3.626 . . . . 25.0 101.209 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.302 1.9 mp0 80.32 -83.65 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 127.204 2.201 . . . . 25.0 115.591 -175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' B' ' 118' ' ' VAL . 40.9 Cg_endo -82.78 13.59 2.56 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 112.499 -4.534 . . . . 25.0 114.759 179.427 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.63 85.14 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 117.137 2.273 . . . . 25.0 117.137 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.07 151.93 56.23 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.522 -4.518 . . . . 25.0 114.2 -173.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.32 149.26 42.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.543 -1.208 . . . . 25.0 108.437 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.01 -33.82 10.65 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 119.158 3.022 . . . . 25.0 119.158 -175.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.19 107.69 2.49 Favored 'Trans proline' 0 C--N 1.36 1.14 1 C-N-CA 112.265 -4.69 . . . . 25.0 113.163 177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.2 t -113.14 10.56 18.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 122.048 0.928 . . . . 25.0 110.263 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.1 p -83.62 47.35 1.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.73 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -79.33 141.65 57.61 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.978 -0.556 . . . . 25.0 109.84 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.67 132.77 20.88 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 116.238 -2.042 . . . . 25.0 112.24 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.6 t -132.6 15.24 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.628 0.728 . . . . 25.0 110.464 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.4 m -82.13 12.81 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.87 -165.61 52.49 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.938 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.02 164.99 34.01 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 CA-C-N 118.559 1.179 . . . . 25.0 111.594 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.75 7.23 2.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 114.939 1.092 . . . . 25.0 114.939 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.35 -173.43 39.0 Favored Glycine 0 C--O 1.225 -0.408 0 N-CA-C 111.051 -0.819 . . . . 25.0 111.051 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -127.33 -83.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -133.37 144.53 49.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.66 -174.12 54.84 Favored Glycine 0 C--O 1.223 -0.572 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.86 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.59 29.34 1.3 Allowed Glycine 0 C--O 1.222 -0.643 0 N-CA-C 111.753 -0.539 . . . . 25.0 111.753 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.4 m -94.4 45.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 25.0 111.359 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.531 HD23 ' H ' ' B' ' 141' ' ' LEU . 2.4 pt? -85.66 40.09 0.83 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.549 0.69 . . . . 25.0 112.089 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 pp -149.28 159.51 44.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 25.0 110.1 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.8 p -143.0 106.78 4.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.224 0.535 . . . . 25.0 110.044 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.26 134.74 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.68 124.64 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 -5.34 10.13 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.448 0.642 . . . . 25.0 111.287 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.63 14.92 0.08 Allowed 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.667 2.84 . . . . 25.0 118.667 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.03 30.82 5.31 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.914 0.726 . . . . 25.0 114.914 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 59.9 t -137.4 132.01 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.95 -41.51 0.52 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.93 -178.72 5.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.802 0.334 . . . . 25.0 110.795 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 29.8 tp 68.43 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 116.133 1.901 . . . . 25.0 116.133 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.9 m -121.14 90.7 3.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.834 -1.53 . . . . 25.0 108.573 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.48 25.34 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 122.808 1.29 . . . . 25.0 108.038 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -141.34 166.08 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.488 -1.233 . . . . 25.0 108.906 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 25.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 25.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 25.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 25.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 25.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 25.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 25.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -65.84 -32.44 73.96 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 25.0 110.492 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.84 -33.6 45.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.2 -21.41 63.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -75.47 -33.82 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.765 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 170.88 154.1 9.37 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.722 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.03 24.38 9.21 Favored Glycine 0 C--O 1.22 -0.733 0 O-C-N 122.228 -0.572 . . . . 25.0 113.302 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.7 -8.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.903 1.335 . . . . 25.0 110.743 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.32 75.16 10.25 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.91 -1.496 . . . . 25.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.694 1.711 . . . . 25.0 111.538 179.323 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -59.27 -32.97 70.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.06 -1.025 . . . . 25.0 111.89 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -58.1 -33.21 68.87 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.95 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -83.64 -37.81 22.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.04 -0.413 . . . . 25.0 110.981 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 25.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 25.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 25.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 25.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 25.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 25.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 25.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 25.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 25.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 25.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 25.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 25.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 25.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 25.0 109.713 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 25.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 25.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 25.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 25.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 25.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 25.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 25.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 25.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 25.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 25.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 25.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -56.49 -40.7 75.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -71.49 -31.15 66.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.017 -0.427 . . . . 25.0 111.971 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.2 t -73.84 -46.26 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.68 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.61 -29.41 67.92 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.22 -41.85 89.5 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.228 -0.442 . . . . 25.0 109.962 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.84 94.37 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -67.17 -40.36 86.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 25.0 110.672 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.4 -42.33 98.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.137 -0.352 . . . . 25.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -65.37 -36.54 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.989 -0.444 . . . . 25.0 110.71 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.39 -39.97 31.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.455 0.645 . . . . 25.0 109.703 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.46 -48.32 28.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 49.65 50.71 17.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.039 -0.982 . . . . 25.0 112.571 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 56.75 45.69 21.35 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 57.86 54.55 6.05 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.772 1.272 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.212 -0.897 0 CA-C-O 123.476 1.608 . . . . 25.0 112.885 178.394 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 122.66 1.145 . . . . 25.0 115.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.3 -29.57 66.35 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.502 -0.999 . . . . 25.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 87.4 mtp 48.59 42.6 19.34 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.5 122.82 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.65 -0.87 . . . . 25.0 108.65 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -132.79 141.76 48.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.99 157.12 42.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -117.79 20.49 13.37 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -121.82 51.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.65 -175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 tt -137.44 130.11 30.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.48 -36.49 8.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.705 0.764 . . . . 25.0 112.122 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -159.31 151.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 101.179 -3.638 . . . . 25.0 101.179 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.53 17.01 22.5 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.063 0.545 . . . . 25.0 111.1 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.9 mmt -132.59 151.29 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -104.58 153.92 17.49 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 107.639 -2.184 . . . . 25.0 107.639 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.89 -61.0 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 21.2 p 43.69 49.98 6.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.944 1.091 . . . . 25.0 113.944 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.6 135.03 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 121.832 0.825 . . . . 25.0 111.105 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.68 108.26 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.2 -32.77 5.9 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 118.22 2.674 . . . . 25.0 118.22 -172.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -76.5 11.85 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 115.071 -2.819 . . . . 25.0 115.237 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.68 155.0 78.43 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.34 135.31 42.4 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.744 -2.371 . . . . 25.0 112.517 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.33 148.73 25.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.79 -0.641 . . . . 25.0 111.24 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 81.3 tttt 94.83 -72.83 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 128.042 2.537 . . . . 25.0 115.088 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.93 150.21 34.0 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 110.474 -5.884 . . . . 25.0 110.483 176.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 12.7 t -129.61 10.76 5.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.461 1.124 . . . . 25.0 108.577 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -95.93 68.52 2.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.612 -1.176 . . . . 25.0 112.483 -175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.2 91.67 6.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.4 149.76 40.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.251 -2.699 . . . . 25.0 110.899 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -147.1 168.12 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.653 -1.239 . . . . 25.0 107.653 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.3 m 61.55 -172.56 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.989 0.916 . . . . 25.0 112.146 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -117.37 163.0 12.71 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.89 151.88 40.63 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 CA-C-N 118.797 1.298 . . . . 25.0 112.801 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -73.47 154.58 50.47 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 117.65 -1.1 . . . . 25.0 111.591 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 172.02 -173.92 45.23 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.216 -1.154 . . . . 25.0 110.216 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -149.31 172.97 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -141.78 170.78 15.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.89 -167.99 46.69 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.85 -0.69 . . . . 25.0 111.833 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 107.18 -168.93 14.47 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 110.253 -1.139 . . . . 25.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.7 m 55.35 26.86 9.16 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.111 1.152 . . . . 25.0 114.111 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.6 tp -135.22 86.44 2.25 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.877 -1.898 . . . . 25.0 105.877 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.095 -0.957 . . . . 25.0 109.709 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -153.39 153.04 31.77 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.53 129.97 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.1 124.54 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -118.21 -1.31 11.37 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.765 0.793 . . . . 25.0 110.08 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 44.84 47.18 9.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.472 -1.695 . . . . 25.0 115.568 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.51 22.4 16.82 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.929 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.8 t -94.94 125.04 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 74.74 41.22 35.11 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.583 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -50.41 -47.64 56.42 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.445 0.698 . . . . 25.0 111.936 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.9 tp 52.26 -86.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.602 1.704 . . . . 25.0 115.602 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 58.8 p -151.21 76.37 1.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.069 0.548 . . . . 25.0 111.166 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 154' ' ' VAL . 0.2 OUTLIER -75.84 5.94 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 121.488 0.661 . . . . 25.0 111.261 176.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt -140.37 164.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.708 0.803 . . . . 25.0 109.279 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 25.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 25.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 25.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 25.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 25.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.56 -42.43 82.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.8 mt -74.0 -32.62 63.48 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.13 -11.94 58.63 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.687 0.676 . . . . 25.0 111.14 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -79.39 0.59 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 25.0 112.014 174.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 123.11 -27.96 5.72 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-O 120.292 -0.171 . . . . 25.0 113.031 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.11 -54.52 4.5 Favored Glycine 0 C--O 1.221 -0.661 0 CA-C-N 117.155 0.478 . . . . 25.0 112.495 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.43 1.63 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.51 0.671 . . . . 25.0 111.867 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.59 73.04 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.946 0.879 . . . . 25.0 109.91 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.642 2.163 . . . . 25.0 111.792 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.8 mtm . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 125.595 2.617 . . . . 25.0 114.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -130.66 127.63 39.29 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 119.942 -1.724 . . . . 25.0 108.361 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.32 -24.83 60.88 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 114.636 1.346 . . . . 25.0 114.636 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -70.5 -33.29 71.05 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.918 -0.489 . . . . 25.0 112.058 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 25.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 25.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 25.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 25.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 25.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 25.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 25.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 25.0 110.009 -177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 25.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 25.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 25.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 25.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 25.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 23' ' ' ALA . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 25.0 110.967 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 25.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 25.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 25.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 25.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 25.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 25.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 25.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 25.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 25.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 25.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.69 -41.19 90.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.19 -29.17 65.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.02 -48.08 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 118.4 0.546 . . . . 25.0 111.117 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.89 -30.26 70.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.1 tp -68.33 -40.46 81.61 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.587 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.72 93.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.79 -37.22 76.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.949 0.404 . . . . 25.0 110.181 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.18 -38.26 87.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.872 0.368 . . . . 25.0 110.509 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -63.69 -37.27 86.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.167 -0.333 . . . . 25.0 110.45 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.87 -26.41 64.18 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.831 0.348 . . . . 25.0 111.15 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.68 -27.79 45.16 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.879 0.371 . . . . 25.0 110.426 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.89 -54.71 4.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.976 0.732 . . . . 25.0 112.976 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 50.94 18.79 0.56 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.073 1.509 . . . . 25.0 115.073 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -86.56 42.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 42.95 60.53 2.45 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? . . . . . 0 C--O 1.213 -0.867 0 CA-C-O 123.189 1.471 . . . . 25.0 112.698 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 CA-C-O 123.615 1.675 . . . . 25.0 115.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.25 164.5 36.46 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 41.2 ttm -152.75 164.64 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.005 -1.85 . . . . 25.0 106.005 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -135.64 151.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 105.352 -2.092 . . . . 25.0 105.352 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -124.96 158.75 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.41 147.38 37.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.97 154.37 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.1 p -151.99 164.86 36.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.38 152.02 51.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.9 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.52 110.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.97 17.29 5.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.755 -0.657 . . . . 25.0 110.145 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -79.28 139.69 37.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.33 -177.59 31.5 Favored Glycine 0 C--O 1.222 -0.638 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.39 -53.44 35.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.3 p 38.88 57.26 1.9 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.768 1.766 . . . . 25.0 115.768 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.14 96.26 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.204 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.9 t -141.69 94.82 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.305 0.574 . . . . 25.0 110.31 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -80.87 -44.75 1.24 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.74 78.91 3.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 115.589 -2.474 . . . . 25.0 115.388 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.9 72.87 4.47 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.478 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.38 146.41 44.93 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.616 -2.456 . . . . 25.0 113.082 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.41 155.46 33.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -66.74 -49.96 47.04 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.64 152.8 48.5 Favored 'Trans proline' 0 C--N 1.355 0.902 1 C-N-CA 113.242 -4.038 . . . . 25.0 111.289 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.38 9.62 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.337 0.589 . . . . 25.0 110.687 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.5 p -159.25 151.5 21.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.63 121.84 10.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -78.59 126.13 7.26 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 117.432 -1.245 . . . . 25.0 114.038 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 49.9 p -123.4 12.99 9.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.623 0.725 . . . . 25.0 110.744 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.6 t -75.34 151.93 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.515 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.8 177.49 37.17 Favored Glycine 0 C--O 1.236 0.235 0 N-CA-C 109.631 -1.388 . . . . 25.0 109.631 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.74 151.89 52.3 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 CA-C-N 119.335 1.567 . . . . 25.0 112.848 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.14 159.45 37.19 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 118.017 -0.855 . . . . 25.0 112.635 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -148.2 103.54 0.26 Allowed Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -155.74 125.48 6.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 25.0 107.984 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -158.73 160.75 36.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.49 39.24 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 108.817 -1.713 . . . . 25.0 108.817 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.36 77.67 0.72 Allowed Glycine 0 C--O 1.222 -0.596 0 N-CA-C 114.657 0.623 . . . . 25.0 114.657 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.4 t -146.61 101.02 3.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.7 tp -142.33 45.45 1.64 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 122.134 0.969 . . . . 25.0 108.978 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.9 mp -79.28 134.91 36.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.467 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 62.3 p -155.48 153.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.3 t -140.49 129.46 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.645 -1.242 . . . . 25.0 107.645 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.53 131.58 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -126.21 -4.84 6.73 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 45.2 38.46 3.36 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.172 1.545 . . . . 25.0 115.172 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.38 35.97 3.6 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 121.675 -0.641 . . . . 25.0 114.593 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.06 152.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -141.46 -118.61 1.45 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 106.11 -2.796 . . . . 25.0 106.11 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -91.84 158.49 16.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 55.9 tp -152.96 132.73 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 20.6 m -116.83 78.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.255 0.55 . . . . 25.0 110.928 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.7 18.96 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-O 122.316 1.055 . . . . 25.0 109.365 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt -140.42 166.27 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.496 -0.775 . . . . 25.0 109.475 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 25.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 25.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 25.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 25.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 25.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 25.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -70.44 -41.32 73.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 25.0 109.693 175.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.14 -40.09 68.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.42 -12.13 28.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.419 0.628 . . . . 25.0 112.454 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -71.85 -15.15 62.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 77.23 -31.45 1.58 Allowed Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.94 -1.91 14.69 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 116.024 1.17 . . . . 25.0 116.024 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.3 8.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.242 0.544 . . . . 25.0 109.753 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.97 97.31 3.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.809 0.814 . . . . 25.0 110.279 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.548 0.889 0 CA-C-O 125.799 2.714 . . . . 25.0 111.218 178.519 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.514 2.739 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -147.01 157.25 43.56 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 120.814 -1.179 . . . . 25.0 108.459 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.3 -32.11 68.13 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -56.22 -33.21 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.916 -0.49 . . . . 25.0 112.057 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 25.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 45' ' ' HIS . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 25.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 25.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 25.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 25.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 25.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 25.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 25.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 25.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 25.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 25.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 25.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 25.0 110.548 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 25.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 25.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 25.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 15' ' ' THR . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 25.0 110.019 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 25.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 25.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 25.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 25.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.24 -41.17 83.6 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.07 -32.76 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.29 -0.256 . . . . 25.0 111.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.3 -47.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.427 . . . . 25.0 110.743 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.94 -30.21 70.29 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.9 tp -67.55 -41.38 84.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.972 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.8 95.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.23 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.26 -41.21 94.49 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 122.047 -0.408 . . . . 25.0 110.991 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.11 -38.61 91.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.882 -0.511 . . . . 25.0 110.528 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 -28.38 66.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.581 0.215 . . . . 25.0 111.581 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.99 -23.2 44.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.755 0.312 . . . . 25.0 110.837 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.21 -58.93 2.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.282 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 53.64 27.46 6.81 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -100.17 21.73 12.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.617 -0.677 . . . . 25.0 111.791 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 54.32 47.94 21.86 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.606 1.193 . . . . 25.0 111.142 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 123.934 1.826 . . . . 25.0 110.992 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.042 0 CA-C-O 122.53 1.072 . . . . 25.0 115.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.14 35.38 22.27 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.879 1.271 . . . . 25.0 111.969 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.5 mtt -70.22 140.06 52.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -128.1 37.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -83.2 30.4 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.701 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.95 61.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -131.23 138.66 49.45 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.542 -0.754 . . . . 25.0 109.936 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.0 m -87.9 162.08 17.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.69 154.06 40.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.184 -1.784 . . . . 25.0 106.184 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.26 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -148.9 127.7 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.548 -2.019 . . . . 25.0 105.548 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.51 -98.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.7 mtm 63.21 -166.55 0.22 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.676 1.19 . . . . 25.0 109.491 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.41 -127.34 8.55 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -85.92 7.57 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -79.38 47.88 0.85 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.21 121.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.27 61.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.379 1.085 . . . . 25.0 109.447 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -40.39 84.45 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 117.841 2.534 . . . . 25.0 117.841 -177.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -80.35 11.07 2.99 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 115.487 -2.542 . . . . 25.0 115.42 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 123.27 83.51 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 121.877 -0.514 . . . . 25.0 111.22 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.57 5.27 5.98 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.754 1.021 . . . . 25.0 114.754 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.95 146.03 51.85 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.508 -1.223 . . . . 25.0 108.214 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -71.94 -35.17 3.36 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.16 2.281 . . . . 25.0 117.16 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -78.04 146.48 22.99 Favored 'Trans proline' 0 C--N 1.356 0.93 1 C-N-CA 111.205 -5.397 . . . . 25.0 112.339 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.7 p -70.67 124.58 24.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.962 -2.607 . . . . 25.0 103.962 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.0 p -150.5 35.47 0.63 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.768 1.27 . . . . 25.0 110.092 -170.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.21 129.01 89.69 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 113.684 -1.598 . . . . 25.0 108.978 -176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.47 126.17 11.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 N-CA-C 116.073 1.528 . . . . 25.0 116.073 -171.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.1 t -151.09 154.25 36.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.814 -2.291 . . . . 25.0 104.814 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 68.5 m -152.18 158.86 43.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.334 0.515 . . . . 25.0 110.763 -175.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.17 173.26 26.24 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.309 -0.405 . . . . 25.0 113.234 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.08 163.17 31.03 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.191 1.928 . . . . 25.0 113.338 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.49 143.56 47.66 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 117.68 -1.08 . . . . 25.0 112.478 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.18 35.67 4.84 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 116.406 -0.361 . . . . 25.0 113.827 -177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -90.3 -8.96 49.55 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -73.27 140.33 46.77 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.046 -0.409 . . . . 25.0 109.99 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.62 -157.38 15.13 Favored Glycine 0 C--O 1.219 -0.829 0 N-CA-C 110.64 -0.984 . . . . 25.0 110.64 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 102.83 12.85 31.17 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.379 0.912 . . . . 25.0 115.379 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.7 m 51.56 44.71 28.92 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.318 1.229 . . . . 25.0 114.318 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 19.02 8.86 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt 65.52 174.02 0.22 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.985 1.314 . . . . 25.0 114.288 173.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 p -151.21 156.18 40.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.6 131.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.09 120.93 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -126.12 -3.72 6.91 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.345 0.593 . . . . 25.0 111.891 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 47.27 33.76 2.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.803 1.409 . . . . 25.0 114.803 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.74 -15.51 63.28 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.5 p -158.17 148.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.21 61.67 0.16 Allowed Glycine 0 C--O 1.215 -1.074 0 N-CA-C 114.458 0.543 . . . . 25.0 114.458 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.26 -43.46 96.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.286 0.543 . . . . 25.0 111.969 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.1 tp 59.78 125.66 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 117.671 2.471 . . . . 25.0 117.671 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.1 m -112.24 93.33 4.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.402 -0.811 . . . . 25.0 111.201 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 23.5 m -86.92 28.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.644 0.735 . . . . 25.0 111.561 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -141.83 167.37 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 25.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.499 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 25.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 25.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 25.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 25.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.67 -39.85 95.23 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 25.0 109.922 172.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.01 -36.38 64.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.87 -12.93 58.21 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.52 0.6 . . . . 25.0 111.128 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -78.16 -2.75 39.08 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.312 -0.404 . . . . 25.0 111.685 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 115.58 -21.04 13.07 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 112.077 -0.409 . . . . 25.0 112.077 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.95 -57.77 4.57 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.103 0.28 . . . . 25.0 112.97 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.19 -2.85 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.107 0.956 . . . . 25.0 110.844 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -92.6 94.33 8.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.751 -1.113 . . . . 25.0 110.745 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 125.442 2.544 . . . . 25.0 109.85 175.171 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.504 2.261 0 CA-C-O 123.692 1.71 . . . . 25.0 114.328 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.84 157.46 16.37 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -59.06 -33.85 71.26 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-O 121.174 0.511 . . . . 25.0 110.319 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -56.83 -33.45 66.76 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 25.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 25.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 25.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.227 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 25.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 25.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 25.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CE2' HD12 ' A' ' 37' ' ' LEU . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.317 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 25.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 25.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 25.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 25.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 25.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 25.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 25.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 27' ' ' TYR . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 25.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 25.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 25.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 19' ' ' PHE . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.137 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 25.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 25.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 25.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 25.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 25.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 25.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.72 -37.43 78.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.102 -0.374 . . . . 25.0 111.521 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.95 -45.74 36.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 121.966 -0.458 . . . . 25.0 111.538 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -67.69 -29.73 69.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -67.54 -39.73 85.03 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.198 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.06 94.31 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.41 -39.99 94.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.012 0.434 . . . . 25.0 109.878 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -64.95 -41.09 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.195 -0.315 . . . . 25.0 110.967 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.06 -36.22 83.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.284 -0.26 . . . . 25.0 110.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.47 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.7 0.286 . . . . 25.0 111.38 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.99 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.104 0.478 . . . . 25.0 110.034 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.87 -52.91 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 49.96 46.59 24.23 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.86 0.864 . . . . 25.0 111.048 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 19.46 4.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 25.0 112.006 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.43 121.29 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.228 1.966 . . . . 25.0 111.293 -179.57 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.041 0 N-CA-C 115.27 0.868 . . . . 25.0 115.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 55.36 29.75 13.64 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.849 1.26 . . . . 25.0 112.541 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 ptm -79.07 73.34 5.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.688 0.756 . . . . 25.0 111.982 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.69 130.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.173 -1.417 . . . . 25.0 107.173 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.0 -177.94 6.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.72 -168.8 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.896 0.878 . . . . 25.0 112.38 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 163.58 8.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 104.177 -2.527 . . . . 25.0 104.177 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.4 p -77.46 150.02 34.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -133.12 146.79 51.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -162.66 166.68 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.01 -2.589 . . . . 25.0 104.01 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t 51.49 53.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-O 122.043 0.925 . . . . 25.0 111.654 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -117.51 157.5 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -151.87 171.94 16.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.56 179.69 42.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 106.681 -2.567 . . . . 25.0 106.681 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -130.24 95.63 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.42 1.105 . . . . 25.0 108.253 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 69.5 p -123.54 35.58 4.82 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.731 -1.577 . . . . 25.0 107.715 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.34 135.7 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 122.139 0.971 . . . . 25.0 111.633 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.35 59.04 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.84 -46.16 92.55 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 113.929 -1.487 . . . . 25.0 114.135 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.26 -170.68 0.84 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 114.62 -3.12 . . . . 25.0 110.253 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.36 65.46 0.11 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.17 151.71 34.71 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.668 -4.421 . . . . 25.0 110.48 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.75 152.48 42.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.46 -40.72 0.21 Allowed Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.4 -135.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 116.018 -2.188 . . . . 25.0 109.467 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.4 p -106.52 161.12 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -76.33 145.36 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.835 -1.913 . . . . 25.0 105.835 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 27.55 73.57 0.39 Allowed Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.9 127.24 14.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 N-CA-C 113.795 0.652 . . . . 25.0 113.795 -175.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 54.2 p -85.55 46.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t 58.57 -151.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.372 0.669 . . . . 25.0 111.372 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -162.94 177.66 38.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 111.623 -0.591 . . . . 25.0 111.623 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.37 162.87 33.12 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.349 2.033 . . . . 25.0 114.097 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.04 159.36 50.31 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 118.728 -0.381 . . . . 25.0 111.901 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.8 -54.82 3.78 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -161.99 159.92 27.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.828 0.814 . . . . 25.0 109.754 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -81.68 148.21 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -103.71 -172.25 25.63 Favored Glycine 0 C--O 1.227 -0.297 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.08 161.43 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 107.36 -2.296 . . . . 25.0 107.36 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.7 t -153.17 120.2 5.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.059 0.93 . . . . 25.0 109.779 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 59.8 tp -145.43 89.57 1.94 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.27 127.19 43.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.7 m -154.48 157.04 37.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.46 144.59 22.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.8 mt -120.33 111.14 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.4 t -99.97 -4.67 29.61 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.367 1.08 . . . . 25.0 111.144 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.4 10.91 27.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.667 -1.606 . . . . 25.0 111.769 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.83 32.12 6.79 Favored Glycine 0 C--N 1.317 -0.494 0 CA-C-N 114.246 -1.343 . . . . 25.0 112.702 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 133.18 64.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.874 0.337 . . . . 25.0 110.112 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 102.26 47.07 1.48 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 116.034 1.174 . . . . 25.0 116.034 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.04 -55.36 33.85 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp 61.98 132.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.277 1.431 . . . . 25.0 114.541 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 p -77.17 78.45 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.566 -0.709 . . . . 25.0 110.018 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.43 HG22 ' H ' ' B' ' 154' ' ' VAL . 17.0 m -79.29 31.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.366 1.066 . . . . 25.0 111.895 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.7 166.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 123.989 0.916 . . . . 25.0 108.74 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 25.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 25.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 25.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 25.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 25.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.27 -35.34 77.03 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 25.0 110.642 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.95 -27.49 43.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.17 -28.95 69.76 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.203 1.001 . . . . 25.0 108.757 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -76.81 1.78 16.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.101 -1.409 . . . . 25.0 111.946 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.15 -4.7 65.74 Favored Glycine 0 C--O 1.224 -0.505 0 O-C-N 122.055 -0.403 . . . . 25.0 113.294 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.01 14.45 63.49 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 121.376 -0.44 . . . . 25.0 113.688 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.82 -6.56 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 122.058 0.933 . . . . 25.0 112.59 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.14 50.08 1.87 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.422 -1.263 . . . . 25.0 110.695 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.212 -0.909 0 CA-C-O 123.527 1.632 . . . . 25.0 111.411 -178.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtm . . . . . 0 N--CA 1.504 2.262 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.42 -30.33 70.5 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.36 -1.462 . . . . 25.0 112.863 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -63.15 -24.47 67.9 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -83.19 -37.82 23.14 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.994 -0.441 . . . . 25.0 110.43 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 25.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 25.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 25.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 25.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 25.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 25.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 25.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 25.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 25.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 25.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 25.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 23' ' ' ALA . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 25.0 110.857 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 25.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 25.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 25.0 110.833 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 25.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 25.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 25.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 25.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.33 -41.6 97.29 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -65.52 -33.08 75.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.241 -0.287 . . . . 25.0 111.396 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.92 -46.04 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.949 -0.47 . . . . 25.0 111.201 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.8 -28.24 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.939 -0.704 . . . . 25.0 109.795 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.94 -40.8 87.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.214 -0.448 . . . . 25.0 110.386 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.036 0.446 . . . . 25.0 110.425 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.114 -0.366 . . . . 25.0 110.921 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.21 -34.33 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.064 -0.397 . . . . 25.0 111.271 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.84 -31.34 71.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.398 0.142 . . . . 25.0 111.108 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.74 -39.85 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 25.0 110.437 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.78 -61.08 1.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 49.69 41.3 21.67 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.785 1.031 . . . . 25.0 113.785 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -124.2 21.04 8.9 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.728 0.411 . . . . 25.0 109.952 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 53.21 54.03 10.92 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.981 1.372 . . . . 25.0 109.678 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 . . . . . 0 C--O 1.215 -0.741 0 CA-C-O 124.708 2.194 . . . . 25.0 112.217 -176.368 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 123.34 1.522 . . . . 25.0 116.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.57 -34.2 23.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.149 -1.207 . . . . 25.0 110.404 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.9 ptm -162.12 173.58 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.22 167.86 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.94 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.041 0.448 . . . . 25.0 110.718 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.43 142.09 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.104 -1.813 . . . . 25.0 106.104 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.11 80.37 5.46 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.504 0.192 . . . . 25.0 110.711 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.9 m 49.06 42.67 21.4 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 tp -133.61 105.99 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 25.0 111.176 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.54 24.08 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 25.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.6 t 55.43 27.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-O 122.511 1.148 . . . . 25.0 111.156 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.24 85.48 2.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.627 -1.169 . . . . 25.0 108.559 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.7 mtp -81.63 38.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.989 0.424 . . . . 25.0 111.987 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.66 45.53 3.09 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-O 119.4 -0.666 . . . . 25.0 111.986 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t0 55.09 44.66 27.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.52 1.152 . . . . 25.0 111.522 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 26.2 p -87.33 14.78 7.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.323 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.87 116.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 t -123.21 90.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.492 0.663 . . . . 25.0 110.447 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -78.91 -28.06 0.55 Allowed Pre-proline 0 CA--C 1.56 1.327 0 N-CA-C 116.96 2.208 . . . . 25.0 116.96 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.05 54.73 5.14 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 115.461 -2.559 . . . . 25.0 114.45 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.88 78.89 3.1 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 122.944 0.497 . . . . 25.0 110.688 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -72.01 134.08 22.73 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 116.424 -1.918 . . . . 25.0 113.483 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.84 160.45 40.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' B' ' 125' ' ' PRO . 0.1 OUTLIER -148.92 -45.59 0.01 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 N-CA-C 118.19 2.663 . . . . 25.0 118.19 178.578 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.469 ' HD2' ' H ' ' B' ' 124' ' ' LYS . 91.1 Cg_endo -77.9 -13.18 16.03 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.744 -3.037 . . . . 25.0 114.307 -177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 141.01 58.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.648 0.261 . . . . 25.0 111.057 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 54.5 m -135.98 125.74 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -122.17 98.4 44.49 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 121.241 0.543 . . . . 25.0 111.855 -172.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.82 136.6 15.21 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 117.211 -1.393 . . . . 25.0 114.089 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -77.12 -6.83 54.35 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.359 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.3 m 59.89 -163.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 25.0 112.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -173.94 177.86 46.04 Favored Glycine 0 C--O 1.236 0.221 0 N-CA-C 109.966 -1.254 . . . . 25.0 109.966 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.92 156.28 43.33 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.375 1.588 . . . . 25.0 113.419 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.9 153.55 47.67 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 118.159 -0.761 . . . . 25.0 111.884 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.57 -61.15 1.32 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.729 -0.748 . . . . 25.0 113.672 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 57.43 -159.8 0.25 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.085 0.554 . . . . 25.0 111.122 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -100.67 147.87 25.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.8 176.34 39.38 Favored Glycine 0 CA--C 1.518 0.228 0 N-CA-C 112.028 -0.429 . . . . 25.0 112.028 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -111.65 157.24 15.08 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 116.976 0.388 . . . . 25.0 113.321 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 41.6 m -86.31 88.6 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 25.0 110.67 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 43.1 tp -120.78 79.11 1.45 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.1 159.75 43.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.697 -1.138 . . . . 25.0 109.42 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 69.9 m -156.37 163.34 39.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 27.5 m -98.17 160.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.38 126.49 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.0 t -123.77 -0.88 8.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.55 0.69 . . . . 25.0 111.028 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.81 35.06 5.88 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.9 -15.58 77.13 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.0 -0.619 . . . . 25.0 113.898 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.51 151.8 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.59 91.1 0.78 Allowed Glycine 0 C--O 1.225 -0.426 0 N-CA-C 109.94 -1.264 . . . . 25.0 109.94 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -69.47 148.1 49.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.2 1.0 . . . . 25.0 112.815 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.46 132.19 42.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 43.1 m 55.24 57.94 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 116.01 1.856 . . . . 25.0 116.01 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 p -82.45 41.53 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-O 123.182 1.468 . . . . 25.0 108.489 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.82 175.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.474 -1.239 . . . . 25.0 109.246 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 25.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 25.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 25.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 25.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 25.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.93 -41.24 82.33 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 25.0 110.936 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.57 -33.43 47.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 116.002 1.853 . . . . 25.0 116.002 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.73 -19.53 63.54 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.763 0.71 . . . . 25.0 109.446 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.19 -14.83 59.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.118 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.06 -172.39 49.49 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.348 -0.701 . . . . 25.0 111.348 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.78 4.84 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 117.178 1.631 . . . . 25.0 117.178 -175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.1 -4.48 9.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 118.315 1.057 . . . . 25.0 111.082 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.94 84.04 2.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.784 -1.098 . . . . 25.0 108.254 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 126.313 2.958 . . . . 25.0 112.092 -176.081 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 125.336 2.493 . . . . 25.0 113.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.81 150.1 49.62 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 120.363 -1.46 . . . . 25.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -56.25 -30.01 61.82 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.04 -33.25 64.78 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.172 0.442 . . . . 25.0 111.025 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 25.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 25.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 25.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 25.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 25.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 25.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 25.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 25.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 25.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 25.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 25.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 25.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 25.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 25.0 110.791 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 25.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 25.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 25.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 25.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 25.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 25.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 25.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 25.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.71 -39.17 90.55 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -67.57 -30.79 70.51 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.033 -0.417 . . . . 25.0 112.031 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.19 -48.7 53.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.654 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.11 -27.46 65.61 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 121.721 -0.612 . . . . 25.0 109.525 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.4 -40.82 85.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.403 -0.362 . . . . 25.0 110.202 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.08 85.46 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -70.22 -32.41 70.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.114 -0.366 . . . . 25.0 111.153 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.31 -41.84 93.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.195 -0.668 . . . . 25.0 109.195 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.35 -34.6 78.33 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.638 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -19.65 63.44 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -41.8 20.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -49.72 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 51.96 29.94 6.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -132.65 28.47 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.582 0.706 . . . . 25.0 109.802 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -131.66 112.27 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 . . . . . 0 C--O 1.217 -0.636 0 CA-C-O 124.287 1.994 . . . . 25.0 110.47 -176.865 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.21 1.45 . . . . 25.0 115.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.48 154.12 50.85 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.97 157.26 28.53 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 t 66.99 160.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 124.804 1.315 . . . . 25.0 110.363 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 50.68 35.01 10.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.84 32.79 4.47 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.134 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -156.33 158.87 38.18 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 64.6 p -120.75 175.7 5.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 57.9 tp -131.8 142.85 49.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -129.33 122.02 28.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.6 m -143.06 144.63 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.35 154.33 20.48 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.6 mtm -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.95 154.01 49.25 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.224 -0.989 . . . . 25.0 110.701 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -135.85 102.41 5.05 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 71.7 p -97.98 11.91 35.96 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.894 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.55 156.38 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.77 94.73 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.271 11.3 mm-40 86.33 -29.52 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.992 1 N-CA-C 122.856 4.391 . . . . 25.0 122.856 177.322 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.29 78.22 3.8 Favored 'Trans proline' 0 CA--C 1.549 1.26 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.197 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.6 154.8 81.95 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.058 0.543 . . . . 25.0 111.026 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.37 158.85 44.19 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 118.177 -0.749 . . . . 25.0 111.757 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.01 176.9 5.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -23.87 -52.27 0.12 Allowed Pre-proline 0 N--CA 1.486 1.337 1 N-CA-C 122.934 4.42 . . . . 25.0 122.934 -171.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.85 -33.42 12.47 Favored 'Trans proline' 0 C--N 1.358 1.069 1 C-N-CA 112.755 -4.363 . . . . 25.0 115.818 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 40.3 27.88 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 119.097 2.999 . . . . 25.0 119.097 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 56.8 p -159.66 157.58 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.42 -0.8 . . . . 25.0 111.987 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -131.24 78.29 72.73 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 123.554 0.741 . . . . 25.0 109.778 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.61 144.64 28.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 N-CA-C 115.376 1.26 . . . . 25.0 115.376 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -131.7 22.49 4.65 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -74.33 153.63 39.23 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.567 -0.708 . . . . 25.0 112.714 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.88 174.74 40.86 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.78 157.71 31.52 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 121.984 1.789 . . . . 25.0 114.532 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.64 160.27 38.22 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 118.123 -0.784 . . . . 25.0 111.581 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -102.68 150.32 17.91 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 121.148 -0.548 . . . . 25.0 113.411 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 49.62 40.18 19.01 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -74.43 132.7 42.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.769 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.08 -140.83 17.22 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.297 -0.478 . . . . 25.0 112.136 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.58 0.63 87.95 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 115.511 0.964 . . . . 25.0 115.511 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -132.45 105.19 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.59 1.195 . . . . 25.0 111.267 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -147.82 85.22 1.55 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.96 147.07 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.231 -0.293 . . . . 25.0 111.048 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.5 m -161.59 160.35 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 129.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.36 133.98 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.756 -1.201 . . . . 25.0 107.756 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 68.4 p -101.84 -27.06 13.22 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 41.77 37.69 0.82 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.793 -1.549 . . . . 25.0 113.96 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.74 67.92 0.5 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.979 -0.848 . . . . 25.0 110.979 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.29 136.32 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.093 0.473 . . . . 25.0 111.93 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.07 36.09 0.16 Allowed Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.528 0.515 . . . . 25.0 112.839 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -92.93 162.98 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 115.514 1.672 . . . . 25.0 115.514 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tp -86.0 160.03 19.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.02 -0.991 . . . . 25.0 110.604 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 71.7 m -81.15 91.64 6.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.605 0.717 . . . . 25.0 110.743 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.84 4.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.526 1.13 . . . . 25.0 111.605 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt -122.98 166.18 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.099 0.56 . . . . 25.0 109.961 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 25.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 25.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 25.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 25.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 25.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 25.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 25.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -71.15 -42.78 68.69 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -28.89 61.48 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -17.74 64.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.287 -0.883 . . . . 25.0 109.97 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.63 -11.5 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.006 -0.543 . . . . 25.0 112.1 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 124.0 174.4 14.13 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 109.811 -1.315 . . . . 25.0 109.811 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -105.3 -58.74 0.65 Allowed Glycine 0 C--O 1.226 -0.39 0 N-CA-C 114.932 0.733 . . . . 25.0 114.932 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 36.0 m -110.26 8.31 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.11 75.96 8.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.438 0.637 . . . . 25.0 109.822 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.2 -1.502 0 CA-C-O 124.17 1.938 . . . . 25.0 113.603 -177.755 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 124.164 1.935 . . . . 25.0 114.106 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -83.44 6.38 20.41 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 120.447 -1.408 . . . . 25.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.55 -27.61 50.0 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -61.03 -33.32 73.09 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.65 -0.656 . . . . 25.0 111.635 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 25.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 25.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 25.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 25.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 25.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 25.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 25.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 25.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 25.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 25.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 25.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 25.0 110.903 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 25.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 25.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 25.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 25.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 25.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 25.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 25.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 25.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 25.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.69 -43.67 93.95 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -34.78 78.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.225 0.466 . . . . 25.0 111.9 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.07 -50.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.102 0.41 . . . . 25.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.6 -29.71 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.133 0.492 . . . . 25.0 110.433 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.43 -45.28 73.0 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 115.879 -0.601 . . . . 25.0 109.471 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.21 75.49 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.962 -0.295 . . . . 25.0 110.475 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.6 -40.04 88.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.884 0.373 . . . . 25.0 110.727 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -60.56 -42.68 97.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.346 . . . . 25.0 110.546 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.65 -35.53 70.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.232 -0.293 . . . . 25.0 111.206 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 25.0 110.639 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.39 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.526 -0.306 . . . . 25.0 111.39 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.98 -56.0 2.62 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 49.49 28.84 2.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.355 1.062 . . . . 25.0 112.921 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -123.14 51.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.483 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 48.17 49.59 17.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.978 1.37 . . . . 25.0 111.333 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.211 -0.948 0 CA-C-O 122.965 1.364 . . . . 25.0 112.148 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 122.447 1.026 . . . . 25.0 115.136 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.91 -28.82 67.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.837 -0.802 . . . . 25.0 112.393 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.83 179.32 0.18 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.131 0.894 . . . . 25.0 110.272 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 t 66.72 140.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 114.794 1.405 . . . . 25.0 114.794 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 51.92 20.76 1.29 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.053 2.612 . . . . 25.0 118.053 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.99 12.6 2.12 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.004 1.112 . . . . 25.0 114.004 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -150.14 167.73 26.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.017 0.527 . . . . 25.0 109.907 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 14.5 m 62.41 22.72 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' LEU . . . . . 0.544 HD23 ' H ' ' B' ' 109' ' ' LEU . 2.6 pt? -89.14 12.43 15.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.471 178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.88 111.4 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.132 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.13 118.43 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 176.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.26 36.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.985 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.0 mtt -138.99 169.26 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.16 -147.99 23.5 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.58 -1.008 . . . . 25.0 110.58 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.0 t0 56.25 65.22 1.48 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.694 1.235 . . . . 25.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 76.1 p -93.39 28.67 2.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.914 -1.039 . . . . 25.0 112.852 -175.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -125.4 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 25.0 110.255 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.95 88.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 25.0 109.365 -178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.74 -44.88 99.77 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 114.932 1.456 . . . . 25.0 114.932 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.8 22.84 0.76 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 115.817 -2.322 . . . . 25.0 116.283 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.63 117.26 57.35 Favored Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.625 -0.672 . . . . 25.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.74 146.47 60.41 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 115.808 -2.328 . . . . 25.0 110.448 173.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.92 175.61 11.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.293 1.4 pttp 92.77 -32.15 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.351 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.31 130.76 14.37 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 110.821 -5.653 . . . . 25.0 111.436 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 64.2 p -142.08 170.78 15.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 116.86 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.921 -1.511 . . . . 25.0 106.921 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -138.96 111.92 8.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.52 132.68 15.01 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 116.363 -1.958 . . . . 25.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.2 p -131.3 143.74 50.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 m -163.15 172.43 14.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.74 159.07 29.0 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 109.468 -1.453 . . . . 25.0 109.468 174.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.12 150.17 25.94 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.271 1.536 . . . . 25.0 113.389 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.82 161.56 30.26 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 118.024 -0.851 . . . . 25.0 111.977 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.74 158.22 23.2 Favored Glycine 0 C--O 1.228 -0.28 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -164.19 172.45 13.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -149.17 158.07 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.32 -163.88 32.2 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 110.093 -1.203 . . . . 25.0 110.093 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.58 -148.9 29.67 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.046 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 m 55.47 37.82 29.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.1 tp -133.33 83.04 2.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -155.22 158.55 39.05 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -156.95 158.54 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.07 136.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.0 mm -85.15 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -155.63 126.93 7.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.119 -2.919 . . . . 25.0 103.119 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -133.07 11.73 4.25 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 112.924 -1.943 . . . . 25.0 109.967 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -108.37 52.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.105 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.57 129.62 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 25.0 111.048 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.22 -117.47 1.17 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 103.541 -3.823 . . . . 25.0 103.541 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -103.13 157.32 17.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.847 0.356 . . . . 25.0 111.598 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -152.95 133.07 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.2 p -85.43 66.93 9.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.355 0.598 . . . . 25.0 110.21 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.75 16.69 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 122.127 0.965 . . . . 25.0 109.753 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt -140.03 165.54 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.34 -0.845 . . . . 25.0 110.954 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 25.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 25.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 25.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 25.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 25.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -63.21 -35.44 80.31 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 25.0 110.265 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.82 -39.5 35.37 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.235 1.198 . . . . 25.0 114.235 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.2 -17.35 64.3 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.408 0.549 . . . . 25.0 109.895 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -73.46 7.65 2.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.371 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.26 26.43 70.49 Favored Glycine 0 C--O 1.224 -0.492 0 C-N-CA 121.174 -0.536 . . . . 25.0 113.622 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.64 41.33 2.73 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.527 -0.844 . . . . 25.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 57.6 51.77 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 121.694 0.759 . . . . 25.0 112.161 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.43 89.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.372 1.082 . . . . 25.0 111.013 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.208 -1.11 0 CA-C-O 124.548 2.118 . . . . 25.0 112.458 174.104 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 123.766 1.746 . . . . 25.0 114.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -140.92 137.28 33.02 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 120.306 -1.496 . . . . 25.0 110.675 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -58.72 -32.08 68.87 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.304 0.573 . . . . 25.0 110.787 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -55.09 -33.32 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 25.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 25.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 25.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 25.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 25.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 25.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 25.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 25.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 25.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 25.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 25.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 25.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 25.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 25.0 110.65 175.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 25.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 25.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 HG11 ' B' ' 171' ' ' VAL . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 25.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 25.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 25.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 25.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 25.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 25.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 25.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 25.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -59.7 -41.68 91.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -69.44 -31.65 70.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -73.0 -48.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 121.948 -0.47 . . . . 25.0 111.379 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.54 -29.18 69.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.355 0.598 . . . . 25.0 109.632 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -68.96 -43.82 74.21 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.833 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.43 96.82 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.42 -40.64 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 25.0 109.957 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.9 -43.85 86.98 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.26 -38.31 90.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.29 -0.256 . . . . 25.0 110.694 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.32 -28.3 66.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.616 0.228 . . . . 25.0 111.616 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.82 50.14 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.86 0.362 . . . . 25.0 110.367 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.62 -55.73 3.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.589 0.588 . . . . 25.0 112.589 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 48.68 33.41 4.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.11 0.964 . . . . 25.0 112.008 -175.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -123.62 31.92 5.76 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 55.11 45.53 25.93 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.923 1.344 . . . . 25.0 109.784 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 124.489 2.09 . . . . 25.0 110.805 -177.668 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.056 0 CA-C-O 123.559 1.644 . . . . 25.0 113.737 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.41 179.31 0.17 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 111.59 -2.305 . . . . 25.0 111.655 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.52 173.89 15.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.11 145.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 175.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.7 46.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.569 0.699 . . . . 25.0 111.353 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.69 61.26 1.81 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.861 -0.608 . . . . 25.0 110.616 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -140.96 27.2 2.0 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.957 0.503 . . . . 25.0 111.198 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -114.29 25.71 10.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.2 mt -124.95 109.99 13.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.252 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.19 129.22 9.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.74 114.43 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.13 18.47 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.928 0.394 . . . . 25.0 111.106 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 64.8 mtm 55.91 27.38 11.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.52 163.63 35.71 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -135.95 -54.52 0.76 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.3 p 44.68 41.36 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.34 128.14 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.409 ' C ' ' HD3' ' B' ' 120' ' ' PRO . 14.4 p -150.38 152.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.56 4.42 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.438 1 N-CA-C 122.275 4.176 . . . . 25.0 122.275 176.409 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' B' ' 118' ' ' VAL . 26.0 Cg_exo -68.39 132.64 26.12 Favored 'Trans proline' 0 C--N 1.363 1.298 1 C-N-CA 110.649 -5.767 . . . . 25.0 112.987 174.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.75 130.99 74.65 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.057 -0.402 . . . . 25.0 110.326 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.69 159.25 28.28 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 116.366 -1.956 . . . . 25.0 113.217 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 49.7 mt 71.19 153.21 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.836 1.791 . . . . 25.0 115.836 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.31 12.8 pttt 92.86 -37.02 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 N-CA-C 120.625 3.565 . . . . 25.0 120.625 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.85 128.72 12.68 Favored 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 111.454 -5.231 . . . . 25.0 112.115 177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 7.4 p -148.09 11.2 0.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.444 0.64 . . . . 25.0 111.052 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.8 p -89.71 59.81 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.991 1.108 . . . . 25.0 113.991 -171.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.33 80.96 37.5 Favored Pre-proline 0 CA--C 1.546 0.825 0 CA-C-O 121.633 0.73 . . . . 25.0 111.427 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.22 146.47 19.91 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 115.205 1.194 . . . . 25.0 115.205 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.1 p 58.74 -174.14 0.09 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.689 1.196 . . . . 25.0 114.194 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -120.58 16.75 12.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 25.0 111.391 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.27 -175.19 55.16 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-N 115.785 -0.643 . . . . 25.0 113.633 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.14 161.43 29.36 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.623 1.549 . . . . 25.0 112.679 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 143.64 50.43 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 116.326 -1.983 . . . . 25.0 112.586 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.66 1.96 79.51 Favored Glycine 0 C--O 1.227 -0.34 0 C-N-CA 121.147 -0.549 . . . . 25.0 114.239 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.74 94.85 5.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.24 0.52 . . . . 25.0 111.039 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -134.46 148.51 50.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.38 -132.58 13.49 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.741 -0.742 . . . . 25.0 111.605 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.22 -26.69 20.04 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 116.226 1.25 . . . . 25.0 116.226 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 34.9 t -144.78 118.63 9.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.258 1.029 . . . . 25.0 110.826 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.26 24.49 6.29 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.57 140.46 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.264 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p -154.04 154.04 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.191 -1.781 . . . . 25.0 106.191 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.1 135.7 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mm -99.63 120.19 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.0 t -127.14 -3.35 6.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.224 1.011 . . . . 25.0 111.947 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 29.67 0.6 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.109 -1.405 . . . . 25.0 112.735 -176.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.13 37.17 3.95 Favored Glycine 0 N--CA 1.459 0.232 0 N-CA-C 114.651 0.62 . . . . 25.0 114.651 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.01 133.19 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 117.64 0.72 . . . . 25.0 109.788 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.77 86.93 0.32 Allowed Glycine 0 C--O 1.222 -0.609 0 N-CA-C 114.395 0.518 . . . . 25.0 114.395 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -64.54 -56.73 12.12 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.084 0.945 . . . . 25.0 112.029 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.96 -171.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.025 -1.898 . . . . 25.0 110.439 -176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.7 p -134.41 97.1 3.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.331 0.586 . . . . 25.0 110.68 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.45 16.75 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 122.309 1.052 . . . . 25.0 109.414 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -137.01 167.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.972 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 25.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 25.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 25.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 25.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 25.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 25.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 25.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' VAL . . . . . 0.4 HG11 HD21 ' A' ' 41' ' ' LEU . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -66.39 -30.58 70.99 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 25.0 109.602 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -30.99 50.19 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.96 -27.97 69.76 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.112 0.958 . . . . 25.0 109.272 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -75.62 -34.83 60.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.523 -1.217 . . . . 25.0 111.703 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 54.45 23.56 27.62 Favored Glycine 0 C--O 1.219 -0.781 0 N-CA-C 116.121 1.209 . . . . 25.0 116.121 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -96.05 -27.24 10.38 Favored Glycine 0 C--O 1.215 -1.082 0 C-N-CA 120.595 -0.812 . . . . 25.0 114.428 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 45.4 52.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 121.628 0.728 . . . . 25.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.48 45.67 16.18 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 125.501 2.572 . . . . 25.0 111.288 173.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.51 2.555 0 N-CA-C 116.191 1.923 . . . . 25.0 116.191 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.41 120.14 29.05 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 120.739 -1.226 . . . . 25.0 111.875 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.89 -18.97 64.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.967 -0.56 . . . . 25.0 111.916 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.26 -36.01 29.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 25.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 25.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 25.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 25.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 25.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 25.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 25.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 25.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.61 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 25.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 25.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 25.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 25.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 25.0 110.731 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 25.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 25.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 25.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 25.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 25.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 25.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 25.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -57.14 -43.41 82.44 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -63.55 -33.61 75.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 -47.95 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.883 0.373 . . . . 25.0 110.348 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -71.55 -28.38 63.82 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.407 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.4 -44.75 78.07 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.78 -43.89 81.33 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.28 -36.9 84.15 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.928 0.394 . . . . 25.0 110.876 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.75 -40.38 95.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.549 0.34 . . . . 25.0 110.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.75 -39.16 90.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.73 88.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.271 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.23 -40.27 71.18 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.695 0.283 . . . . 25.0 110.454 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.66 . . . . 25.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -83.97 2.8 37.12 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -152.42 8.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.647 2.832 . . . . 25.0 118.647 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -136.2 112.69 9.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.168 0.985 . . . . 25.0 109.414 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 125.263 2.459 . . . . 25.0 111.368 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 CA-C-O 123.664 1.702 . . . . 25.0 116.344 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.29 73.32 5.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.257 -1.143 . . . . 25.0 111.823 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.0 mtt -72.99 140.54 47.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -150.79 155.37 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' B' ' 107' ' ' ARG . 34.1 tt0 -124.87 134.4 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.93 65.94 1.11 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' B' ' 105' ' ' GLU . 95.0 mtt180 -65.4 -20.26 66.3 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t 52.21 24.41 2.79 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.994 1.479 . . . . 25.0 114.994 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 56.3 mt 55.44 20.71 3.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.127 0.971 . . . . 25.0 113.592 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.56 62.39 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.534 0.683 . . . . 25.0 109.207 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.25 30.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.127 -0.942 . . . . 25.0 112.052 -171.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.28 136.17 52.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 43.6 tpp -93.4 -10.07 36.48 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.81 0.814 . . . . 25.0 112.602 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.61 25.86 57.77 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.447 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.46 -33.74 76.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 66.8 p 46.7 38.81 6.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.2 105.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.2 t -126.18 110.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.406 -0.361 . . . . 25.0 110.29 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.276 3.6 tm-20 96.83 -65.94 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 117.694 2.479 . . . . 25.0 117.694 175.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.69 78.34 3.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 114.784 -3.01 . . . . 25.0 116.061 -173.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.72 71.01 18.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.383 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.83 142.73 48.4 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 115.906 -2.262 . . . . 25.0 113.588 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.76 146.91 47.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.326 -0.852 . . . . 25.0 108.927 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.33 -47.42 10.32 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.06 152.34 51.05 Favored 'Trans proline' 0 C--N 1.357 1.006 1 C-N-CA 112.402 -4.599 . . . . 25.0 110.793 173.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 47.3 p -90.19 3.17 54.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.152 0.501 . . . . 25.0 110.816 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.3 m -87.32 122.0 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.123 -0.489 . . . . 25.0 110.178 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.02 124.74 88.57 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.483 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.11 130.55 10.33 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 117.084 -1.477 . . . . 25.0 113.777 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.4 t -78.72 -10.97 59.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.856 -0.527 . . . . 25.0 111.808 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 13.8 m 48.55 44.63 20.99 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.44 163.58 54.8 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.738 -0.744 . . . . 25.0 112.393 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.95 155.51 52.96 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 CA-C-N 118.648 1.224 . . . . 25.0 112.79 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -79.53 43.81 1.57 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 121.79 1.66 . . . . 25.0 113.589 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 97.38 -174.54 29.74 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.0 109.1 21.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.811 -0.229 . . . . 25.0 110.89 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 64.77 167.44 0.17 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.763 1.225 . . . . 25.0 113.934 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.89 47.82 0.96 Allowed Glycine 0 C--O 1.219 -0.794 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.069 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.7 41.74 3.53 Favored Glycine 0 C--O 1.223 -0.564 0 C-N-CA 120.816 -0.707 . . . . 25.0 114.17 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.3 m -76.9 52.72 0.87 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.79 67.72 1.16 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.2 mt -135.18 165.56 25.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.801 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.3 p -145.73 159.83 42.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.021 -2.585 . . . . 25.0 104.021 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.2 t -130.74 134.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 4.2 mt -76.46 128.82 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -115.49 -5.0 12.24 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 44.58 34.8 1.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.24 9.63 69.31 Favored Glycine 0 N--CA 1.459 0.233 0 N-CA-C 114.898 0.719 . . . . 25.0 114.898 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.7 t -138.75 135.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.21 -104.54 1.5 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 110.295 -1.122 . . . . 25.0 110.295 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.54 169.76 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.718 0.407 . . . . 25.0 110.099 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 58.3 tp -74.25 137.26 42.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 27.8 p -78.95 64.43 3.89 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.636 -0.875 . . . . 25.0 108.636 173.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.32 -0.47 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.988 . . . . 25.0 113.225 -173.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.1 170.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 122.046 -0.409 . . . . 25.0 111.652 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 25.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 25.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' VAL . . . . . 0.403 HG12 ' H ' ' B' ' 159' ' ' VAL . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 25.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 25.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 25.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 25.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 25.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.15 -36.38 77.4 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 25.0 110.724 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 51.7 mt -75.22 -35.82 61.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.65 -25.14 67.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.758 0.708 . . . . 25.0 109.648 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -63.15 -28.81 70.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.462 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -63.07 -11.91 40.97 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.456 -0.402 . . . . 25.0 113.895 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.82 -57.9 9.11 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.957 -0.64 . . . . 25.0 112.669 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.9 0.07 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 116.276 1.954 . . . . 25.0 116.276 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -97.94 72.86 2.24 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.182 0.991 . . . . 25.0 109.529 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.21 -0.974 0 CA-C-O 124.378 2.037 . . . . 25.0 112.264 -178.4 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 125.23 2.443 . . . . 25.0 114.065 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.84 -27.99 69.71 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 119.566 -1.959 . . . . 25.0 110.612 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.59 -37.32 75.54 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.382 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -80.36 -35.49 35.38 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 25.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 25.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 25.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 25.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 25.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 25.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 25.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 25.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 25.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 25.0 111.164 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 25.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 25.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 25.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 25.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 25.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 25.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -59.4 -38.55 80.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.91 -32.59 70.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.006 -0.434 . . . . 25.0 111.625 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.82 -45.04 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 121.961 -0.462 . . . . 25.0 111.104 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.65 -29.48 68.79 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.939 -0.704 . . . . 25.0 109.39 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.0 tp -68.31 -39.21 82.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.441 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.85 97.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.38 -37.24 77.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 25.0 110.71 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.35 -35.5 80.5 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.021 -0.424 . . . . 25.0 111.044 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.19 -39.98 31.98 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.112 0.482 . . . . 25.0 110.497 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.48 -51.83 15.76 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 50.29 23.52 1.24 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.129 1.529 . . . . 25.0 115.129 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -123.15 3.11 9.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -126.01 91.41 3.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.188 0.994 . . . . 25.0 110.174 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.215 -0.737 0 CA-C-O 124.837 2.256 . . . . 25.0 110.758 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 CA-C-O 122.626 1.125 . . . . 25.0 115.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.15 33.79 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.17 163.56 31.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.31 155.88 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -144.85 131.41 19.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.53 65.97 8.05 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -75.85 42.58 0.24 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -91.46 132.63 36.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -124.75 131.32 53.46 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.77 43.55 0.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.777 0.322 . . . . 25.0 111.74 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.01 114.35 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.917 0.865 . . . . 25.0 109.252 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.63 163.65 29.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 73.6 mtm -120.03 7.91 10.93 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.43 71.7 Favored Glycine 0 C--O 1.216 -0.983 0 N-CA-C 115.883 1.113 . . . . 25.0 115.883 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -77.46 -57.34 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.118 0.961 . . . . 25.0 113.216 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 80.6 p -128.28 20.23 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.272 1.034 . . . . 25.0 109.903 -171.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.58 133.97 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.252 -1.34 . . . . 25.0 111.846 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -126.02 115.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 103.09 -2.93 . . . . 25.0 103.09 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -54.99 -52.08 74.0 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.964 1.839 . . . . 25.0 115.964 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.53 -40.9 3.69 Favored 'Trans proline' 0 C--N 1.354 0.851 1 C-N-CA 112.976 -4.216 . . . . 25.0 114.665 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.89 136.62 0.49 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 123.777 0.831 . . . . 25.0 108.893 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.53 139.43 31.33 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 115.472 -2.552 . . . . 25.0 109.095 166.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.0 mt -140.9 165.28 27.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -173.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.316 0.9 OUTLIER 96.69 -35.69 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 121.316 3.821 . . . . 25.0 121.316 172.21 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.75 98.89 1.16 Allowed 'Trans proline' 0 C--N 1.357 1.009 1 C-N-CA 112.828 -4.315 . . . . 25.0 113.411 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.6 t -156.25 176.14 13.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.0 p -150.68 69.75 0.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 25.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -111.72 89.61 11.39 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.61 147.02 35.15 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 116.49 -1.873 . . . . 25.0 112.488 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 60.5 p -125.79 9.77 7.64 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 32.9 t -79.84 147.46 31.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.248 -0.283 . . . . 25.0 110.257 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.45 174.84 43.2 Favored Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.98 -0.848 . . . . 25.0 110.98 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.54 161.07 40.54 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 119.007 1.403 . . . . 25.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.6 131.39 22.82 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 116.394 -1.937 . . . . 25.0 112.208 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -101.5 20.51 46.33 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.4 t30 50.63 52.3 15.16 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 117.506 0.653 . . . . 25.0 112.04 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -57.81 132.39 53.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.986 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.18 155.15 24.98 Favored Glycine 0 C--O 1.228 -0.243 0 C-N-CA 121.182 -0.532 . . . . 25.0 112.985 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.36 67.3 3.73 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 114.35 0.5 . . . . 25.0 114.35 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m 52.72 51.29 16.29 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.15 47.29 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.382 0.61 . . . . 25.0 112.365 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.54 137.71 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.863 -0.523 . . . . 25.0 109.959 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 79.2 p -158.81 161.47 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 148.87 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 104.708 -2.33 . . . . 25.0 104.708 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.82 119.19 37.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -131.36 -3.0 3.86 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.336 0.588 . . . . 25.0 111.46 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 50.26 21.07 0.73 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.831 1.789 . . . . 25.0 115.831 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.99 15.8 36.07 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 116.547 1.379 . . . . 25.0 116.547 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.21 124.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 117.278 0.539 . . . . 25.0 109.774 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.52 45.9 7.68 Favored Glycine 0 C--O 1.218 -0.856 0 N-CA-C 117.242 1.657 . . . . 25.0 117.242 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.52 -61.92 1.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.8 tp 63.72 142.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.069 1.877 . . . . 25.0 116.069 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.5 m -114.58 80.6 1.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.483 -0.761 . . . . 25.0 110.94 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.1 9.74 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 122.508 1.147 . . . . 25.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt -131.31 167.39 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.785 -1.098 . . . . 25.0 109.11 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 25.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 25.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 25.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 25.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 25.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.9 -42.18 99.69 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 25.0 110.182 176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.15 -31.13 49.57 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.03 -17.54 62.02 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.665 -0.814 . . . . 25.0 109.606 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -74.05 -20.16 60.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.222 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.79 -156.74 21.23 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.799 -1.32 . . . . 25.0 109.799 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.97 -28.95 48.53 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 120.5 -0.857 . . . . 25.0 112.218 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 46.81 35.75 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.114 0.966 . . . . 25.0 113.581 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -139.42 123.02 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 125.253 2.454 . . . . 25.0 111.793 -179.588 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 61.29 10.08 2.87 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.703 1.601 . . . . 25.0 112.574 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.01 -43.41 70.05 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.028 1.492 . . . . 25.0 115.028 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.64 -35.55 74.61 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.186 -0.946 . . . . 25.0 112.431 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 25.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 25.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' B' ' 155' ' ' ILE . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 25.0 109.719 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 25.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 25.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 25.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 25.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 25.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 25.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 25.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 25.0 111.226 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 25.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 33' ' ' GLN . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.46 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 25.0 110.095 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 25.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 25.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 25.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 25.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 25.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 25.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 25.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 25.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 25.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.01 -43.02 86.43 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -66.17 -30.84 71.39 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.441 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.75 -48.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.64 -0.663 . . . . 25.0 110.238 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.76 -27.8 66.22 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.64 -42.99 85.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.53 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -64.59 -39.33 93.54 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.906 0.384 . . . . 25.0 110.681 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.55 -38.2 88.91 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.218 -0.302 . . . . 25.0 110.743 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.67 -35.57 80.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.25 -23.6 62.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.09 25.79 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.58 -48.87 63.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 41.63 54.24 3.77 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.2 tttp 61.78 62.82 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.767 1.025 . . . . 25.0 113.767 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -119.43 125.21 48.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.202 -1.412 0 CA-C-O 125.647 2.642 . . . . 25.0 111.112 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.945 0 CA-C-O 123.863 1.813 . . . . 25.0 115.963 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.15 -22.72 35.97 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.473 -1.016 . . . . 25.0 111.551 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.25 -178.59 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.483 1.114 . . . . 25.0 112.316 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 175.83 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 109.071 -0.715 . . . . 25.0 109.071 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 63.49 20.37 12.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 174.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.87 66.54 4.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.107 -0.497 . . . . 25.0 109.909 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -139.11 132.13 29.52 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 121.705 -0.622 . . . . 25.0 111.962 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 78.4 p -154.97 169.23 24.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 mt -141.31 147.28 37.9 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 43.79 2.73 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.197 0.453 . . . . 25.0 110.733 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.5 t 67.07 107.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 124.744 1.218 . . . . 25.0 111.502 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.95 164.26 16.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.27 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.7 mtp 62.98 -155.98 0.33 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.221 1.009 . . . . 25.0 112.448 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.82 -133.04 11.24 Favored Glycine 0 C--O 1.229 -0.162 0 N-CA-C 107.482 -2.247 . . . . 25.0 107.482 -170.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.42 -15.87 63.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.758 0.779 . . . . 25.0 112.63 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p 46.84 42.73 12.44 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.228 1.195 . . . . 25.0 114.228 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.45 118.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -145.19 140.89 22.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 44.1 43.76 1.27 Allowed Pre-proline 0 CA--C 1.557 1.25 0 N-CA-C 118.415 2.746 . . . . 25.0 118.415 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -82.47 -5.61 11.77 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 114.447 -3.235 . . . . 25.0 112.706 174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.58 159.06 41.91 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.044 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -68.68 174.88 7.89 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 118.069 -0.82 . . . . 25.0 110.101 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.0 mt -22.71 103.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.229 1.937 . . . . 25.0 116.229 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -77.38 -37.56 1.69 Allowed Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 118.182 2.66 . . . . 25.0 118.182 -174.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.78 135.46 28.08 Favored 'Trans proline' 0 C--N 1.354 0.854 1 C-N-CA 112.361 -4.626 . . . . 25.0 116.171 -170.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 18.11 8.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.692 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t 57.32 43.1 24.0 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.347 0.594 . . . . 25.0 111.855 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.91 116.74 46.96 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.38 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.74 153.78 20.08 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.35 -1.967 . . . . 25.0 111.837 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -76.59 -21.89 54.98 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.502 -0.749 . . . . 25.0 111.983 175.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 58.81 -167.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.308 1.005 . . . . 25.0 112.17 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 171.86 169.13 34.31 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 118.864 -0.965 . . . . 25.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.61 164.22 34.26 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 CA-C-N 119.089 1.445 . . . . 25.0 112.769 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -70.34 157.76 58.29 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 116.928 -1.581 . . . . 25.0 113.408 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -145.23 -169.0 13.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 109.704 -1.358 . . . . 25.0 109.704 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 53.0 t30 57.42 29.69 17.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.622 0.769 . . . . 25.0 112.38 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -104.66 -27.15 12.0 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.344 0.593 . . . . 25.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.76 172.35 46.99 Favored Glycine 0 C--O 1.218 -0.864 0 CA-C-N 115.617 -0.72 . . . . 25.0 113.541 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -172.18 35.0 0.14 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.2 m -123.61 53.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.026 0.441 . . . . 25.0 111.165 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 tp -129.67 58.66 1.63 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.169 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -146.9 161.12 41.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.591 -1.262 . . . . 25.0 107.591 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.6 p -152.96 159.54 42.95 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -77.09 138.98 19.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.1 128.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.3 t -123.13 -3.08 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.213 0.53 . . . . 25.0 112.079 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.92 24.33 0.84 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.93 33.91 5.63 Favored Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.96 133.45 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.6 -102.82 0.96 Allowed Glycine 0 CA--C 1.505 -0.58 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -129.87 158.35 39.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.821 0.343 . . . . 25.0 111.421 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 48.2 tp -149.89 133.57 16.76 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.4 p -118.47 66.53 0.76 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.19 -2.9 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 122.382 1.087 . . . . 25.0 111.522 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ILE . . . . . 0.408 HD13 HD23 ' A' ' 11' ' ' LEU . 35.3 pt -95.19 167.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 123.303 0.641 . . . . 25.0 110.932 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 25.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 25.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 25.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 25.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 25.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 25.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.0 -37.89 81.03 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 25.0 110.574 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -78.26 -39.8 39.05 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.146 1.535 . . . . 25.0 115.146 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.11 -11.88 59.89 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.467 0.651 . . . . 25.0 111.056 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -73.48 -10.8 60.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.762 -0.654 . . . . 25.0 112.546 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -102.35 -148.82 21.28 Favored Glycine 0 C--O 1.217 -0.917 0 N-CA-C 111.255 -0.738 . . . . 25.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.67 -54.53 4.96 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 121.191 -0.528 . . . . 25.0 114.125 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.63 5.39 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.34 108.54 13.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.608 0.718 . . . . 25.0 110.126 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.576 1.655 . . . . 25.0 112.259 177.874 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpp . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 116.8 2.148 . . . . 25.0 116.8 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.2 -42.79 73.75 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 119.925 -1.734 . . . . 25.0 113.068 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.48 -37.19 86.1 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 122.322 -0.237 . . . . 25.0 111.254 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -66.03 -35.41 80.47 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 110.427 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' B' ' 155' ' ' ILE . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 25.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 25.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 25.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 25.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 25.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 25.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' HE2' HD22 ' A' ' 37' ' ' LEU . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 25.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 25.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 25.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 25.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 25.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 25.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 25.0 110.708 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 25.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 25.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 25.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 25.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 25.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 25.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 25.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 25.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 25.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.74 -44.12 85.84 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.78 -35.58 81.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.541 0.2 . . . . 25.0 111.541 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.13 -49.31 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.781 0.324 . . . . 25.0 110.756 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -70.61 -31.27 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.967 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.91 -41.62 91.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.255 -0.429 . . . . 25.0 109.892 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.041 0.448 . . . . 25.0 110.214 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.97 -38.4 79.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.912 -0.492 . . . . 25.0 111.05 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.21 -38.58 89.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.47 -0.144 . . . . 25.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.37 -40.21 93.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.053 -0.405 . . . . 25.0 110.741 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.97 68.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 25.0 111.422 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.13 59.95 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.732 0.301 . . . . 25.0 110.712 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.94 -54.9 3.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 48.42 34.38 4.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.926 0.89 . . . . 25.0 113.001 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.07 -5.62 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -148.75 116.39 6.25 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 123.448 1.594 . . . . 25.0 113.333 -179.363 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.881 1.823 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.18 157.04 38.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 113.113 -1.543 . . . . 25.0 107.986 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -148.63 142.22 25.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 105.489 -2.041 . . . . 25.0 105.489 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.1 158.74 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -140.63 153.21 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.79 -0.819 . . . . 25.0 108.79 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.91 91.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -72.0 138.51 48.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.4 t -147.29 -179.39 6.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.81 48.8 20.56 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.064 0.935 . . . . 25.0 112.062 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.16 15.66 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.194 -0.912 . . . . 25.0 110.23 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.0 175.28 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 70.75 113.41 0.05 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 125.793 1.933 . . . . 25.0 113.151 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 65.9 mtt -84.11 153.49 23.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.571 -1.64 . . . . 25.0 106.571 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.99 145.99 50.07 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.653 -0.784 . . . . 25.0 112.145 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -125.86 99.92 6.16 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 103.451 -2.796 . . . . 25.0 103.451 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.6 p -112.84 28.83 8.46 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.898 -1.501 . . . . 25.0 110.416 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.79 127.85 32.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.11 164.86 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.287 31.3 tt0 66.94 -97.04 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 116.6 -1.667 . . . . 25.0 112.442 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.72 78.96 3.5 Favored 'Trans proline' 0 C--N 1.37 1.686 1 C-N-CA 111.844 -4.971 . . . . 25.0 114.154 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.2 67.07 2.2 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.114 0.566 . . . . 25.0 111.107 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.66 137.34 22.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 115.113 -2.792 . . . . 25.0 113.531 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.96 178.17 7.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' B' ' 125' ' ' PRO . 2.4 mptp? -119.26 -44.8 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.431 ' HD2' ' H ' ' B' ' 124' ' ' LYS . 87.8 Cg_endo -73.03 166.62 29.54 Favored 'Trans proline' 0 C--N 1.351 0.694 1 C-N-CA 112.985 -4.21 . . . . 25.0 110.698 177.114 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p -81.7 8.97 8.62 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.844 0.313 . . . . 25.0 111.844 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.4 t 65.49 178.69 0.2 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.332 1.053 . . . . 25.0 111.322 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.93 160.22 63.75 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.85 164.15 34.63 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.754 -1.03 . . . . 25.0 112.409 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 32.3 p -77.04 1.18 18.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 30.7 p -81.02 142.1 33.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.4 179.73 35.73 Favored Glycine 0 C--O 1.236 0.269 0 CA-C-O 119.335 -0.703 . . . . 25.0 112.176 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.69 154.06 49.04 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 CA-C-N 118.927 1.363 . . . . 25.0 113.619 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.46 165.41 27.39 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 118.487 -0.542 . . . . 25.0 113.213 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -99.37 -173.57 31.16 Favored Glycine 0 CA--C 1.518 0.254 0 N-CA-C 110.264 -1.134 . . . . 25.0 110.264 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -73.88 163.57 27.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -145.03 153.16 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.68 -173.86 42.3 Favored Glycine 0 C--O 1.227 -0.331 0 O-C-N 123.087 0.242 . . . . 25.0 113.598 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.35 13.37 52.03 Favored Glycine 0 C--O 1.224 -0.485 0 N-CA-C 114.993 0.757 . . . . 25.0 114.993 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m -111.17 94.14 4.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.663 0.385 . . . . 25.0 111.088 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.27 92.65 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.77 138.05 52.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.573 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.1 m -154.48 155.4 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.77 143.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.027 -1.471 . . . . 25.0 107.027 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 40.8 mm -109.62 128.31 65.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -116.13 -2.92 12.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.558 0.694 . . . . 25.0 111.2 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 49.86 33.64 6.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.99 -1.459 . . . . 25.0 114.911 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.44 8.73 71.93 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 117.139 1.615 . . . . 25.0 117.139 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.01 142.68 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 176.82 38.48 0.05 OUTLIER Glycine 0 C--O 1.221 -0.69 0 N-CA-C 118.271 2.068 . . . . 25.0 118.271 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -78.68 -76.08 0.21 Allowed 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 32.9 tp 62.28 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.11 1.364 . . . . 25.0 114.094 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 54.4 m -145.12 106.15 4.16 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 121.347 -0.845 . . . . 25.0 109.058 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.03 24.54 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 123.352 0.661 . . . . 25.0 110.675 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ILE . . . . . 0.449 HD12 ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -128.19 -179.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 -179.257 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 25.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 25.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 25.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 25.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 25.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -59.67 -40.97 89.53 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.42 -20.78 60.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.35 -18.84 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.484 0.659 . . . . 25.0 110.471 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -90.93 -12.31 36.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.168 -0.923 . . . . 25.0 111.727 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.84 50.63 Favored Glycine 0 C--O 1.224 -0.529 0 N-CA-C 108.435 -1.866 . . . . 25.0 108.435 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.21 5.08 57.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 115.789 1.076 . . . . 25.0 115.789 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.33 1.98 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 121.927 0.87 . . . . 25.0 111.73 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -146.24 101.62 3.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.147 0 CA-C-O 123.615 1.674 . . . . 25.0 111.374 -179.66 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtm . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -56.94 -45.15 82.99 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.933 -1.104 . . . . 25.0 112.78 -175.083 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -64.09 -36.09 82.87 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.928 -0.483 . . . . 25.0 110.43 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -69.57 -33.15 72.31 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.049 -0.407 . . . . 25.0 111.159 178.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 25.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 25.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 25.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 25.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 25.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 25.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 25.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 25.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 25.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 25.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 25.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 25.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 23' ' ' ALA . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 25.0 110.732 176.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 25.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 25.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 25.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 25.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 25.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 25.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 25.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.568 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 25.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.83 -41.5 95.92 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.51 -36.0 82.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.11 -0.369 . . . . 25.0 111.319 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.16 -46.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 122.021 -0.425 . . . . 25.0 111.709 -177.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.7 -32.8 74.55 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.54 -41.92 87.98 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.089 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.37 93.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.82 0.343 . . . . 25.0 110.286 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -70.3 -38.81 75.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.854 0.359 . . . . 25.0 110.235 178.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -65.3 -38.05 89.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.26 -0.275 . . . . 25.0 111.03 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -66.24 -36.2 82.39 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 25.0 110.963 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.67 -27.64 66.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.706 0.288 . . . . 25.0 111.039 177.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -21.81 46.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.046 0.45 . . . . 25.0 110.747 176.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -94.15 -51.95 4.6 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.649 0.611 . . . . 25.0 112.649 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 51.43 27.29 3.65 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.062 1.345 . . . . 25.0 112.913 -176.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -123.4 62.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 25.0 110.375 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -80.7 73.8 7.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.353 1.073 . . . . 25.0 108.897 178.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 . . . . . 0 C--O 1.207 -1.142 0 CA-C-O 124.533 2.111 . . . . 25.0 110.989 -176.544 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.601 0 CA-C-O 123.634 1.685 . . . . 25.0 115.417 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.56 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 66.6 mtt -86.53 114.55 23.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.2 m -136.48 157.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -86.24 49.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.532 0.682 . . . . 25.0 109.802 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.01 -174.72 0.14 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.773 1.229 . . . . 25.0 111.952 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -149.38 160.04 43.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 179.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -118.61 123.14 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 175.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -160.26 152.76 20.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 48.9 37.39 9.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.65 67.01 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.482 0.658 . . . . 25.0 111.22 -177.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.03 178.82 9.85 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.3 ptp -140.63 160.11 40.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.073 -1.454 . . . . 25.0 107.073 176.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -157.39 11.55 0.26 Allowed Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.807 -0.711 . . . . 25.0 113.389 175.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.59 76.83 1.05 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.097 0.951 . . . . 25.0 110.104 -173.085 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 60.6 p -96.89 1.08 50.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.597 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.44 126.66 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.2 t -88.32 73.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.38 1.086 . . . . 25.0 110.206 -176.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.06 -40.78 31.09 Favored Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 175.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.32 68.69 8.21 Favored 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 116.344 -1.97 . . . . 25.0 115.516 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.61 74.7 12.17 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 122.979 0.511 . . . . 25.0 112.159 177.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.17 143.87 55.18 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 116.379 -1.947 . . . . 25.0 112.175 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.08 135.76 35.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 25.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 37.1 ttpt 92.24 -79.95 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 127.453 2.301 . . . . 25.0 114.992 175.256 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.91 153.87 42.53 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 110.468 -5.888 . . . . 25.0 110.468 176.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 15.68 3.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 -173.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.6 m -93.7 115.91 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.201 -179.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.82 158.35 75.49 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.76 157.36 55.54 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 117.412 -1.259 . . . . 25.0 112.867 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -145.44 158.73 43.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 178.39 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 81.3 p -158.32 175.05 14.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 -176.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.88 163.41 34.19 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 109.833 -1.307 . . . . 25.0 109.833 176.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -78.49 155.08 28.01 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 CA-C-N 119.211 1.505 . . . . 25.0 114.147 -176.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.17 159.07 41.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 118.276 -0.683 . . . . 25.0 112.004 174.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.05 35.13 2.34 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 114.501 0.561 . . . . 25.0 114.501 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -107.13 97.84 7.56 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.337 -0.507 . . . . 25.0 111.091 -178.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -157.45 160.84 38.74 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.87 172.65 45.44 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 110.044 -1.222 . . . . 25.0 110.044 179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -153.08 36.35 0.77 Allowed Glycine 0 C--O 1.226 -0.362 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.37 -177.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.3 m -119.35 47.4 1.7 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 122.462 -0.434 . . . . 25.0 112.154 -176.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.76 80.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 -178.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.75 160.83 41.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.272 -177.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 22.1 t -158.43 170.42 22.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.11 134.66 42.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.4 mp -71.27 121.8 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 27.6 p -105.63 74.78 1.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 122.688 1.232 . . . . 25.0 111.674 -178.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -141.41 44.61 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 112.943 -1.935 . . . . 25.0 107.255 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.15 8.27 69.77 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 116.743 1.457 . . . . 25.0 116.743 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.4 p -146.27 148.94 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -136.79 -104.61 0.71 Allowed Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.337 -0.705 . . . . 25.0 111.337 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.59 158.74 33.87 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -178.285 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 120.67 26.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.9 m 48.73 44.07 21.29 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 175.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.1 p -68.82 -7.06 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.31 170.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.878 -0.514 . . . . 25.0 111.262 -177.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 173.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 25.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 25.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 25.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.25 -26.51 65.72 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 25.0 110.236 174.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.35 -29.61 47.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.699 -0.626 . . . . 25.0 112.578 178.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.39 -15.59 60.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.849 0.833 . . . . 25.0 109.946 174.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -95.99 13.43 27.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.184 -0.916 . . . . 25.0 112.734 -178.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 109.91 -18.32 29.09 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 114.892 0.717 . . . . 25.0 114.892 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 70.31 25.6 75.42 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-N 117.878 0.839 . . . . 25.0 112.283 176.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 54.96 43.24 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.418 0.628 . . . . 25.0 111.05 -179.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 59.95 79.78 0.22 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.487 1.137 . . . . 25.0 112.893 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.488 1.428 0 C-N-CA 125.156 1.382 . . . . 25.0 113.357 176.639 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 122.933 1.349 . . . . 25.0 112.63 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -71.65 -28.7 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.679 -1.263 . . . . 25.0 108.822 178.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -61.86 -25.18 67.37 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.937 -0.477 . . . . 25.0 111.942 176.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -82.63 -35.58 26.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 25.0 110.994 175.435 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 25.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 25.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 25.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 25.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 25.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 25.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 25.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 25.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 25.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 25.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 25.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 25.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 25.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 25.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 25.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 25.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 25.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 25.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 25.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 25.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 25.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 25.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 25.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.61 -41.94 91.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -70.87 -34.05 71.23 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.18 -47.06 76.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.97 -0.456 . . . . 25.0 110.015 -177.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.51 -29.73 66.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.07 -41.03 95.45 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.262 176.344 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.63 91.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -64.24 -40.7 96.56 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.046 -0.408 . . . . 25.0 111.374 177.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -66.14 -38.28 87.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.234 0.54 . . . . 25.0 110.59 179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -65.66 -39.15 91.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.886 -0.509 . . . . 25.0 109.96 178.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.73 64.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.204 0.315 . . . . 25.0 111.743 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 -26.16 59.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.658 0.266 . . . . 25.0 110.664 176.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.9 -48.6 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 54.13 29.36 10.28 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.269 1.028 . . . . 25.0 112.495 -175.586 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -81.51 51.37 1.65 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -175.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 45.74 54.82 7.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.647 1.213 . . . . 25.0 112.505 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 124.96 2.314 . . . . 25.0 111.676 -178.729 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.244 0 CA-C-O 124.957 2.421 . . . . 25.0 113.572 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.29 -11.66 58.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.362 -1.919 . . . . 25.0 111.74 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 tpt -80.37 140.74 35.92 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.11 161.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 -177.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.29 163.19 24.49 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 142.51 32.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 178.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.94 107.6 17.15 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -179.076 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.008 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tp 65.38 -173.53 0.18 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.308 1.005 . . . . 25.0 111.388 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.32 106.16 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.39 136.99 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 103.664 -2.717 . . . . 25.0 103.664 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.68 155.79 49.91 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.8 mtp -79.72 153.44 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.22 162.01 34.78 Favored Glycine 0 C--O 1.223 -0.589 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 174.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -81.01 -64.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.205 0.526 . . . . 25.0 110.184 -179.008 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -142.56 12.29 1.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.837 0.827 . . . . 25.0 111.882 -177.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.43 122.27 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -176.265 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.5 94.92 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -175.218 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.67 13.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.388 1 N-CA-C 124.218 4.896 . . . . 25.0 124.218 172.232 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -83.35 11.58 3.24 Favored 'Trans proline' 0 C--N 1.363 1.319 1 C-N-CA 112.88 -4.28 . . . . 25.0 112.919 173.089 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.59 114.57 39.86 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 114.892 1.441 . . . . 25.0 114.892 -169.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.29 156.16 50.94 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.746 -1.703 . . . . 25.0 109.92 169.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.12 165.64 35.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 63.9 pttt 48.44 31.03 0.11 Allowed Pre-proline 0 CA--C 1.558 1.274 1 N-CA-C 122.462 4.245 . . . . 25.0 122.462 176.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.3 -14.95 11.63 Favored 'Trans proline' 0 C--N 1.355 0.877 1 C-N-CA 112.499 -4.534 . . . . 25.0 112.035 169.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.5 p -93.25 152.77 18.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.383 0.673 . . . . 25.0 111.602 -176.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -142.15 39.17 1.6 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -125.45 98.34 35.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.047 -177.063 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.7 145.53 16.22 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 117.728 -1.048 . . . . 25.0 113.078 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -105.27 -16.98 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -176.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -155.82 158.53 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.538 -0.726 . . . . 25.0 109.214 -178.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 151.12 176.18 23.73 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 177.505 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.4 161.51 40.05 Favored 'Trans proline' 0 C--O 1.24 0.6 0 CA-C-N 118.468 1.134 . . . . 25.0 110.779 176.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -79.68 36.28 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 N-CA-C 113.885 0.687 . . . . 25.0 113.885 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.57 111.8 1.55 Allowed Glycine 0 C--O 1.219 -0.843 0 CA-C-O 121.69 0.606 . . . . 25.0 112.939 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -154.19 163.94 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.194 -0.592 . . . . 25.0 109.694 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -147.66 175.7 10.68 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 177.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.58 176.03 48.44 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.834 -0.698 . . . . 25.0 113.747 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.84 170.28 11.83 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 107.899 -2.08 . . . . 25.0 107.899 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.0 m 50.95 30.98 5.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.6 1.333 . . . . 25.0 114.6 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.92 56.63 3.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 25.0 110.313 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.65 148.67 24.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.334 -177.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 65.6 p -152.09 163.94 38.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.63 147.49 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.72 127.09 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 41.4 p -116.07 71.03 0.77 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.529 1.157 . . . . 25.0 111.299 -177.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -139.08 18.67 2.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.114 -1.857 . . . . 25.0 110.423 -176.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.54 2.63 84.88 Favored Glycine 0 C--O 1.224 -0.488 0 CA-C-N 115.235 -0.893 . . . . 25.0 114.069 -176.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 91.8 t -136.04 125.86 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 179.045 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.5 93.08 0.4 Allowed Glycine 0 C--O 1.216 -1.0 0 N-CA-C 111.721 -0.552 . . . . 25.0 111.721 -177.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.51 156.24 35.35 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 122.206 -0.585 . . . . 25.0 110.09 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -108.69 126.61 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 25.0 111.984 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 57.7 m -134.29 95.7 3.45 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.267 -0.879 . . . . 25.0 109.474 175.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.7 p -91.55 13.0 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 122.781 1.277 . . . . 25.0 108.232 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt -139.24 165.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 -179.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 25.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 25.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 25.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 25.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 25.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 25.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 25.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.47 -36.96 85.87 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 25.0 110.937 174.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.31 -25.98 51.77 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.25 -20.22 65.91 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-O 121.968 0.889 . . . . 25.0 109.292 172.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -97.44 19.91 12.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.255 -0.884 . . . . 25.0 111.41 -177.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.52 81.34 Favored Glycine 0 C--O 1.219 -0.826 0 C-N-CA 121.106 -0.568 . . . . 25.0 113.606 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 82.16 -57.9 4.96 Favored Glycine 0 C--O 1.217 -0.922 0 CA-C-O 121.224 0.347 . . . . 25.0 113.566 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.8 m -96.72 19.88 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 122.833 0.453 . . . . 25.0 111.791 -176.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.81 61.33 2.66 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 122.051 0.929 . . . . 25.0 112.094 179.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.739 2.209 . . . . 25.0 109.933 176.572 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -117.78 45.72 1.9 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 120.291 -1.506 . . . . 25.0 108.994 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -27.1 6.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.274 1.953 . . . . 25.0 116.274 -172.074 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -59.73 -29.84 68.41 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.923 -0.486 . . . . 25.0 112.266 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 25.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 25.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 25.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 25.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 25.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 25.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 25.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 25.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 25.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 25.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 25.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 25.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 25.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 25.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 25.0 110.861 178.079 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 25.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 25.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 25.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 25.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 25.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 25.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 25.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 25.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 25.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 25.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -59.51 -41.96 91.14 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.19 -33.68 72.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.94 -47.95 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.834 -0.541 . . . . 25.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.31 -32.15 69.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.8 -43.27 96.79 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.31 78.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.272 0.558 . . . . 25.0 110.863 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -73.87 -37.51 64.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.007 0.432 . . . . 25.0 110.534 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -38.96 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.854 -0.528 . . . . 25.0 110.323 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -68.89 -35.94 77.46 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.635 -0.665 . . . . 25.0 110.326 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.67 65.24 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.462 0.171 . . . . 25.0 111.462 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.97 -43.78 23.8 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.974 0.416 . . . . 25.0 110.533 175.387 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.95 -50.4 42.24 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 48.68 24.95 0.87 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -77.93 20.59 0.35 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 52.08 42.99 30.83 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.431 1.11 . . . . 25.0 111.408 176.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 C--O 1.207 -1.132 0 CA-C-O 124.372 2.034 . . . . 25.0 111.514 -178.864 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.277 0 CA-C-O 124.327 2.071 . . . . 25.0 115.139 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.26 173.38 12.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.182 -1.509 . . . . 25.0 107.988 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtm -121.54 157.54 30.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 176.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.76 114.67 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.117 0.261 . . . . 25.0 110.691 -174.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.65 39.22 3.36 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.28 168.47 24.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 63.84 16.01 9.5 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.211 0.944 . . . . 25.0 111.636 -178.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -82.4 37.47 0.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.774 -0.579 . . . . 25.0 111.389 176.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.96 154.31 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 -176.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.82 126.5 43.47 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 177.16 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.07 76.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.673 0.749 . . . . 25.0 109.964 179.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.71 68.37 4.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.083 0.468 . . . . 25.0 111.255 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 12.9 ptp -76.91 3.14 12.76 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.662 0.986 . . . . 25.0 113.662 -174.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.74 -0.83 83.05 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 116.142 -0.481 . . . . 25.0 114.136 178.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.07 54.76 1.96 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.058 0.932 . . . . 25.0 113.082 -177.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.2 p -103.12 8.34 38.67 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.86 138.7 18.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.95 -1.023 . . . . 25.0 108.638 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.53 97.8 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 103.381 -2.822 . . . . 25.0 103.381 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -45.89 -51.69 29.42 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -172.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.47 -67.9 0.02 OUTLIER 'Trans proline' 0 CA--C 1.543 0.967 1 C-N-CA 113.287 -4.009 . . . . 25.0 113.979 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.84 145.43 0.92 Allowed Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.657 -1.979 . . . . 25.0 105.657 176.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.24 158.94 26.46 Favored 'Trans proline' 0 C--O 1.242 0.685 0 C-N-CA 116.257 -2.029 . . . . 25.0 111.491 172.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 31.2 mt 58.07 -170.07 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.723 0.809 . . . . 25.0 112.366 176.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.268 83.1 tttt 75.64 -96.07 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.221 0 CA-C-O 116.609 -1.662 . . . . 25.0 110.765 -174.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.77 134.17 23.37 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 108.271 -7.353 . . . . 25.0 112.525 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -157.48 159.77 37.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 178.396 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -155.91 74.32 0.86 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.618 0.367 . . . . 25.0 110.441 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -115.89 104.26 52.76 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.629 -175.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.09 140.74 28.59 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 116.919 -1.587 . . . . 25.0 112.335 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 11.1 t -144.9 -4.29 0.75 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.507 1.299 . . . . 25.0 114.507 -176.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.0 t -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.769 -0.582 . . . . 25.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.36 169.99 36.28 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.268 -1.533 . . . . 25.0 109.268 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.0 158.66 38.2 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 119.249 1.524 . . . . 25.0 114.072 -176.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.83 154.47 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 118.41 -0.593 . . . . 25.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -118.69 52.59 0.7 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 114.824 0.689 . . . . 25.0 114.824 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -137.02 96.96 3.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.679 0.739 . . . . 25.0 111.199 178.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.05 134.22 20.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.5 -163.53 32.58 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 110.676 -0.969 . . . . 25.0 110.676 -176.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.5 4.42 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 116.389 1.316 . . . . 25.0 116.389 177.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 48.3 t -122.79 79.22 1.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.245 1.022 . . . . 25.0 111.298 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 83.16 1.94 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 177.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 64.7 mt -132.79 135.66 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.555 0.342 . . . . 25.0 111.092 -173.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 46.3 m -153.61 142.25 20.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.08 130.23 48.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 105.522 -2.029 . . . . 25.0 105.522 179.029 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.67 117.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 p -110.74 74.93 0.9 Allowed 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 122.45 1.119 . . . . 25.0 110.049 -177.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -140.96 48.31 1.7 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 113.589 -1.641 . . . . 25.0 108.936 -176.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.06 -14.89 71.05 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.325 -0.852 . . . . 25.0 114.732 -176.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.02 136.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.472 -1.677 . . . . 25.0 106.472 177.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.16 47.68 0.11 Allowed Glycine 0 C--O 1.225 -0.414 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 -174.392 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.96 157.89 35.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.22 -0.49 . . . . 25.0 111.554 -177.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.3 tp 56.74 -119.4 1.28 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.845 0.858 . . . . 25.0 113.309 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.2 m -92.44 68.3 4.88 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.347 -0.846 . . . . 25.0 112.796 -172.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.68 -3.82 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 122.59 1.186 . . . . 25.0 109.248 173.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.12 171.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 124.345 1.058 . . . . 25.0 110.159 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 25.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 25.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 25.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 25.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 25.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -68.0 -43.35 79.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 174.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.55 -27.2 60.41 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -177.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.56 -14.46 62.51 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.609 -0.682 . . . . 25.0 109.792 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -79.68 -6.4 57.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.342 174.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.49 -173.02 32.14 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -171.96 -45.75 0.04 OUTLIER Glycine 0 C--O 1.221 -0.716 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.4 12.23 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 CA-C-O 121.186 0.517 . . . . 25.0 110.28 174.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -127.75 115.38 18.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -178.612 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 124.325 2.012 . . . . 25.0 111.719 -178.703 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.202 1.477 . . . . 25.0 114.198 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -69.07 -29.14 67.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.973 -1.08 . . . . 25.0 109.215 177.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -58.98 -33.69 70.96 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.775 -0.648 . . . . 25.0 110.947 176.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -80.64 -38.14 29.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.149 -0.345 . . . . 25.0 111.91 177.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 25.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 25.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 25.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HE2' HD22 ' A' ' 37' ' ' LEU . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 25.0 110.035 -177.055 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 25.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 25.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 25.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 25.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 25.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 25.0 110.303 173.529 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 25.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 25.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 25.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 25.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 25.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 25.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 25.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.89 -42.29 93.46 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.72 -30.96 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 179.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.58 -47.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 118.337 0.517 . . . . 25.0 111.684 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -67.54 -30.74 70.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.36 -43.35 86.26 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.01 176.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.08 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.26 -41.72 96.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.315 . . . . 25.0 110.277 176.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -40.14 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.194 0.442 . . . . 25.0 112.194 178.035 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -65.11 -36.87 85.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 178.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 -30.24 66.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.096 0.247 . . . . 25.0 110.936 178.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -32.98 63.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 25.0 110.122 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.16 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -177.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 47.81 26.37 0.9 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.057 0.943 . . . . 25.0 113.259 -173.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -97.96 37.81 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 -172.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 53.33 47.88 23.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.882 1.325 . . . . 25.0 110.948 -177.002 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--O 1.208 -1.104 0 CA-C-O 124.152 1.93 . . . . 25.0 111.505 178.349 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.986 0 CA-C-O 124.458 2.144 . . . . 25.0 113.757 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.14 152.3 29.32 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 113.604 -1.298 . . . . 25.0 108.367 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.5 ptm -133.58 138.26 45.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 178.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.2 t -134.46 129.95 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -175.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 47.73 33.54 3.2 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 179.132 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.92 64.86 3.23 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.909 -0.495 . . . . 25.0 110.934 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -148.99 144.25 26.64 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 39.2 m -152.71 94.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.89 16.12 4.25 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.363 0.601 . . . . 25.0 111.957 -174.069 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.62 78.54 1.33 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.374 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.82 117.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.71 29.26 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.08 -0.509 . . . . 25.0 111.481 -176.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.41 143.08 38.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.16 7.12 72.63 Favored Glycine 0 N--CA 1.462 0.382 0 CA-C-O 122.073 0.818 . . . . 25.0 112.02 -177.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.73 74.01 1.12 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.219 1.009 . . . . 25.0 109.431 -175.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.7 p -93.6 8.3 41.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.096 1.147 . . . . 25.0 114.096 -175.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 87.9 t -71.51 129.21 35.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 12.7 p -141.64 149.12 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 -177.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.54 23.69 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.473 0 N-CA-C 119.937 3.31 . . . . 25.0 119.937 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.92 -5.5 13.04 Favored 'Trans proline' 0 C--N 1.362 1.243 1 C-N-CA 112.701 -4.4 . . . . 25.0 112.262 173.415 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.89 159.4 68.76 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.119 -177.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -68.55 175.09 7.47 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 116.772 -1.685 . . . . 25.0 110.977 170.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.39 135.87 49.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.406 0.622 . . . . 25.0 110.343 -178.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -56.09 -31.36 9.66 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 120.131 3.382 . . . . 25.0 120.131 -174.12 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.42 124.61 10.51 Favored 'Trans proline' 0 C--N 1.359 1.093 1 C-N-CA 111.985 -4.877 . . . . 25.0 112.683 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -150.04 166.87 28.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -87.2 107.91 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.91 79.82 50.21 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-O 121.297 0.57 . . . . 25.0 110.592 -179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.55 149.59 27.24 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 117.39 -1.273 . . . . 25.0 112.202 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -152.51 172.41 16.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 52.6 m -145.27 147.11 32.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.319 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.98 -176.22 47.55 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 109.782 -1.327 . . . . 25.0 109.782 -178.614 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.68 162.96 39.84 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 118.99 1.395 . . . . 25.0 111.971 178.595 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.66 164.87 33.88 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 117.835 -0.977 . . . . 25.0 113.28 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.54 157.97 53.4 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.692 -0.686 . . . . 25.0 113.19 179.334 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -82.02 173.59 12.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 25.0 110.592 -179.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -142.51 -177.45 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 -178.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -151.14 175.91 29.87 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.01 -0.614 . . . . 25.0 111.711 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.82 -169.57 46.02 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 121.523 -0.37 . . . . 25.0 113.191 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.3 m -105.86 178.71 4.48 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 50.2 tp -124.19 81.92 1.98 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.727 -2.033 . . . . 25.0 106.994 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.3 mt -83.57 149.15 26.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.788 -1.096 . . . . 25.0 110.648 -176.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.6 p -151.54 159.87 43.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 104.733 -2.321 . . . . 25.0 104.733 176.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.59 135.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.41 128.89 33.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -109.48 -2.64 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.646 0.736 . . . . 25.0 111.278 -178.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 42.98 51.12 5.35 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.825 1.417 . . . . 25.0 114.825 175.107 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.44 20.49 13.91 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 115.139 0.815 . . . . 25.0 115.139 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.1 120.68 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -128.79 -70.84 0.14 Allowed Glycine 0 N--CA 1.46 0.288 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.57 -46.56 0.1 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 119.963 3.32 . . . . 25.0 119.963 173.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.48 124.11 18.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -169.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.8 m -89.22 75.59 7.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.147 -1.388 . . . . 25.0 108.378 176.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.8 p -82.5 18.33 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-O 122.004 0.907 . . . . 25.0 111.949 -176.046 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt -128.89 164.41 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 121.617 -0.677 . . . . 25.0 111.679 -174.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 25.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 25.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 25.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 25.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 25.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.23 -38.82 92.67 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 25.0 110.231 175.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.25 -20.5 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.318 1.229 . . . . 25.0 114.318 -178.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.04 -17.35 64.63 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 172.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -96.52 7.44 46.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.206 -179.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.64 -86.98 0.63 Allowed Glycine 0 C--O 1.219 -0.82 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -149.13 36.46 1.03 Allowed Glycine 0 C--O 1.219 -0.787 0 CA-C-O 119.994 -0.337 . . . . 25.0 113.078 -175.242 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 67.81 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -80.02 62.08 4.1 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.352 1.072 . . . . 25.0 110.063 175.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 123.405 1.574 . . . . 25.0 114.359 -176.111 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 125.781 2.705 . . . . 25.0 114.456 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -68.78 -19.66 64.32 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.42 -2.05 . . . . 25.0 110.558 -178.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.54 -27.95 65.03 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.768 0.427 . . . . 25.0 110.914 177.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -51.32 -33.45 29.17 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 25.0 111.191 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 25.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 25.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 25.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 25.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 25.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 25.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 25.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 25.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 25.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 25.0 110.284 -173.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 25.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 25.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 25.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 25.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 25.0 110.093 177.65 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 25.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 25.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 25.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 25.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 25.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 25.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 25.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 25.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.21 -42.88 87.17 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.56 -33.53 75.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.273 0.471 . . . . 25.0 112.273 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.35 -49.85 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -69.07 -32.08 71.28 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.008 -0.677 . . . . 25.0 109.532 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.15 -42.64 93.6 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.627 -0.508 . . . . 25.0 109.627 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.07 78.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.202 177.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.46 -36.9 79.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 25.0 111.291 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.22 -37.25 86.7 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.119 -0.363 . . . . 25.0 110.815 177.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -67.42 -34.37 77.09 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 122.109 -0.369 . . . . 25.0 110.398 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.42 68.69 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.169 -0.332 . . . . 25.0 111.069 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.92 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 25.0 111.209 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.0 -53.23 8.69 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -176.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 48.67 33.82 4.56 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.147 1.166 . . . . 25.0 114.147 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -146.13 36.83 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.687 -0.633 . . . . 25.0 110.812 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -136.39 125.29 24.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 C--O 1.197 -1.676 0 CA-C-O 124.44 2.067 . . . . 25.0 112.839 -177.089 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.666 0 CA-C-O 122.927 1.293 . . . . 25.0 115.405 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.03 133.96 33.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.772 -0.84 . . . . 25.0 109.709 -178.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.1 ttt -151.97 158.82 43.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 178.25 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.0 165.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.41 157.04 36.64 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.588 0.709 . . . . 25.0 112.543 -178.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.15 130.76 9.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 143.94 37.36 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 178.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 92.35 4.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.175 0.512 . . . . 25.0 111.9 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tt -154.48 111.32 3.33 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.82 129.26 18.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 174.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.75 118.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.23 97.71 0.81 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 -177.333 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.9 mpp? 57.19 -160.4 0.23 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.142 0.901 . . . . 25.0 109.146 -175.039 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.56 -179.17 29.27 Favored Glycine 0 C--O 1.221 -0.673 0 N-CA-C 109.08 -1.608 . . . . 25.0 109.08 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -82.64 -18.23 41.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.361 0.601 . . . . 25.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p 47.18 61.83 2.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.476 -0.784 . . . . 25.0 112.643 179.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.64 134.7 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.41 179.235 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.43 114.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.719 0.771 . . . . 25.0 112.322 -174.233 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 94.15 -29.77 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.213 0 N-CA-C 121.026 3.713 . . . . 25.0 121.026 167.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.99 131.81 18.77 Favored 'Trans proline' 0 C--N 1.353 0.764 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.66 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.18 95.01 5.18 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 111.865 0.321 . . . . 25.0 111.865 -178.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -67.84 148.85 77.66 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 116.02 -2.187 . . . . 25.0 110.363 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.25 165.34 32.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.417 -177.011 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 103.31 -60.2 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.397 0 C-N-CA 128.894 2.877 . . . . 25.0 113.572 -178.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.59 162.53 32.92 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 112.076 -4.816 . . . . 25.0 110.34 176.605 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -137.07 -9.56 1.76 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.056 0.931 . . . . 25.0 111.832 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -159.34 123.32 3.84 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.067 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -137.06 89.05 17.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.46 163.93 26.67 Favored 'Trans proline' 0 C--N 1.347 0.468 0 N-CA-C 115.896 1.46 . . . . 25.0 115.896 -164.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.3 p -62.24 117.81 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.052 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 p -157.18 168.3 27.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 -176.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.92 -179.46 16.79 Favored Glycine 0 C--O 1.236 0.233 0 CA-C-O 119.682 -0.51 . . . . 25.0 112.443 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.03 160.67 42.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 CA-C-N 118.746 1.273 . . . . 25.0 111.876 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.17 154.15 70.54 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 117.259 -1.361 . . . . 25.0 113.824 178.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -94.95 -162.9 34.83 Favored Glycine 0 C--O 1.22 -0.733 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 176.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 57.41 35.86 26.44 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -64.94 126.53 28.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.863 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.8 -174.69 35.16 Favored Glycine 0 CA--C 1.508 -0.394 0 N-CA-C 109.686 -1.366 . . . . 25.0 109.686 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.82 38.36 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 108.931 -1.668 . . . . 25.0 108.931 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.5 m 52.71 31.81 10.98 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.496 1.665 . . . . 25.0 115.496 177.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.35 49.29 1.11 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.61 0.719 . . . . 25.0 109.503 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.59 161.52 42.41 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.786 -0.572 . . . . 25.0 110.242 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.7 m -138.59 132.48 31.11 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 175.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.64 126.82 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.51 130.33 34.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.359 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.4 t -116.9 0.89 12.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.145 0.974 . . . . 25.0 109.472 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 47.9 35.03 4.44 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 113.827 -1.533 . . . . 25.0 113.347 175.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.69 17.39 25.98 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.11 146.88 11.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.11 -46.49 0.39 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -126.09 160.96 28.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.481 0.658 . . . . 25.0 112.052 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 47.9 tp -87.48 133.94 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.738 -178.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 15.5 m 50.88 56.16 8.43 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.516 1.673 . . . . 25.0 115.516 174.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 m -76.77 44.91 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 122.234 1.016 . . . . 25.0 111.93 175.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt -146.71 177.92 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -172.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 25.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 25.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 25.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 25.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 25.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 25.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 25.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 25.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 25.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 25.0 110.457 176.168 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.5 -18.58 59.78 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 -175.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.34 -19.98 65.1 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 171.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -98.39 14.21 28.88 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 123.418 0.687 . . . . 25.0 111.018 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.98 4.28 90.08 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.078 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 86.79 -14.43 56.31 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.989 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 16.5 m -82.25 39.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.427 1.108 . . . . 25.0 111.159 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -98.08 80.13 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 178.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 123.755 1.74 . . . . 25.0 113.46 -176.446 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 125.752 2.691 . . . . 25.0 114.24 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -107.29 119.47 39.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 113.907 -1.497 . . . . 25.0 112.898 -175.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.76 -34.07 77.02 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 122.171 -0.331 . . . . 25.0 111.049 177.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.24 -38.27 73.55 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.183 -0.948 . . . . 25.0 112.155 -178.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 25.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 25.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 25.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 25.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 25.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 25.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 25.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 25.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 25.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 25.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 25.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 25.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 25.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 25.0 110.51 178.244 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 25.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 25.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 171' ' ' VAL . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.058 -179.619 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 25.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 25.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 25.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 25.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 25.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -58.52 -43.43 89.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -28.16 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.12 -48.23 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.303 -0.559 . . . . 25.0 110.469 178.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.87 -30.22 65.2 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.361 -0.936 . . . . 25.0 110.892 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.88 -42.5 90.24 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 176.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.29 -44.68 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.032 0.444 . . . . 25.0 110.094 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.68 -37.33 79.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.688 -0.687 . . . . 25.0 110.63 178.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -62.9 -33.99 76.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.739 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -65.91 -36.23 82.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.523 -0.736 . . . . 25.0 110.281 177.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.88 66.57 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-O 121.451 0.643 . . . . 25.0 110.63 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.12 -23.04 57.82 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.492 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.35 -57.39 2.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -176.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 42.77 33.88 0.53 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 -175.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -124.72 81.13 1.92 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.921 -0.582 . . . . 25.0 111.442 -174.302 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 52.45 48.35 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.185 0.993 . . . . 25.0 111.79 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.213 -0.859 0 CA-C-O 125.126 2.394 . . . . 25.0 112.01 178.509 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.452 0 CA-C-O 125.554 2.752 . . . . 25.0 112.884 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.41 72.49 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.021 -2.089 . . . . 25.0 111.137 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.3 mmt 44.76 46.05 8.49 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.24 0.963 . . . . 25.0 112.074 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.57 147.13 25.69 Favored 'Isoleucine or valine' 0 C--O 1.25 1.118 0 CA-C-O 121.766 0.793 . . . . 25.0 112.68 -170.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.74 159.59 15.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 48.08 53.13 12.12 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.146 0.974 . . . . 25.0 112.299 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -59.43 115.9 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.285 1.217 . . . . 25.0 114.285 -175.471 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 p -90.65 100.43 13.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.432 -0.804 . . . . 25.0 112.415 175.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.66 102.15 13.55 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 174.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.16 111.04 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.122 -0.695 . . . . 25.0 109.122 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.21 29.27 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 CA-C-O 121.181 0.515 . . . . 25.0 111.521 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 50.28 60.19 4.02 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.785 -1.098 . . . . 25.0 112.113 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 56.7 mtt -75.15 113.31 12.34 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.862 -178.567 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.19 -169.53 54.52 Favored Glycine 0 C--O 1.224 -0.523 0 N-CA-C 109.393 -1.483 . . . . 25.0 109.393 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.66 -24.97 31.12 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -177.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.7 p 46.36 34.58 2.33 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.8 0.809 . . . . 25.0 113.075 -176.285 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.3 p -64.11 140.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.078 -0.965 . . . . 25.0 112.49 -172.039 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.6 t -119.36 108.38 23.62 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 177.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.64 -35.82 25.86 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -174.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -76.06 77.49 3.46 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 115.127 -2.782 . . . . 25.0 113.179 169.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.69 149.58 98.22 Favored Pre-proline 0 C--O 1.24 0.598 0 CA-C-N 115.758 -0.656 . . . . 25.0 112.502 -175.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.43 171.37 16.98 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 CA-C-O 122.586 0.994 . . . . 25.0 112.97 176.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.42 148.23 50.95 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 172.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -47.48 -49.76 53.08 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.007 2.225 . . . . 25.0 117.007 -174.386 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.5 114.79 4.11 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 113.623 -3.785 . . . . 25.0 112.816 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 45.8 p -116.71 168.68 9.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 78.2 p -141.61 70.25 1.34 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.613 -0.722 . . . . 25.0 109.925 -179.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -115.07 77.27 4.97 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.99 -175.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -77.01 155.82 33.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 116.939 -1.574 . . . . 25.0 112.199 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -132.0 23.46 4.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.264 1.031 . . . . 25.0 108.262 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.9 p -73.72 149.08 42.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.565 -0.743 . . . . 25.0 110.154 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -121.19 176.1 16.23 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-O 119.616 -0.547 . . . . 25.0 112.548 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.37 151.5 42.96 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.102 1.201 . . . . 25.0 114.031 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.35 151.96 38.62 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 118.609 -0.461 . . . . 25.0 112.64 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.03 65.11 0.55 Allowed Glycine 0 C--O 1.225 -0.412 0 CA-C-O 121.197 0.331 . . . . 25.0 112.619 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -131.59 112.37 12.55 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 122.191 -0.594 . . . . 25.0 111.87 -178.122 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -155.12 125.58 6.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.584 0.175 . . . . 25.0 110.779 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.0 -171.15 54.05 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.462 -0.875 . . . . 25.0 113.283 176.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.41 25.77 0.4 Allowed Glycine 0 C--O 1.22 -0.766 0 N-CA-C 114.325 0.49 . . . . 25.0 114.325 179.314 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 m 52.08 48.67 22.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.915 1.08 . . . . 25.0 113.915 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 79.7 mt -113.67 64.08 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.888 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.73 134.68 35.87 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.0 p -154.45 163.44 40.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 175.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.94 141.53 19.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 104.719 -2.326 . . . . 25.0 104.719 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.9 mm -106.42 130.83 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 t -156.08 119.76 4.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 177.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.99 33.93 1.01 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 122.418 1.104 . . . . 25.0 108.043 -177.488 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -129.59 35.49 2.55 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.232 -0.894 . . . . 25.0 112.694 -178.408 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.47 125.63 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 -177.427 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -89.5 -61.07 1.4 Allowed Glycine 0 C--O 1.219 -0.799 0 C-N-CA 120.45 -0.881 . . . . 25.0 113.967 -177.326 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -142.97 -53.12 0.38 Allowed 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 tp 63.82 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.606 2.076 . . . . 25.0 116.606 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 51.1 m -80.08 86.62 5.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.76 19.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.406 -0.816 . . . . 25.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.34 164.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 123.511 0.725 . . . . 25.0 109.312 -178.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 25.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 25.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 25.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 25.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 25.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 25.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 25.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 25.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 171' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 41' ' ' LEU . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -66.03 -45.57 80.97 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 25.0 109.424 175.604 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.82 -34.06 69.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.746 1.758 . . . . 25.0 115.746 -177.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.71 -11.04 57.48 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.426 -0.796 . . . . 25.0 111.686 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -80.82 -11.08 59.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.876 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.3 177.96 15.23 Favored Glycine 0 N--CA 1.462 0.39 0 C-N-CA 121.019 -0.61 . . . . 25.0 113.487 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -95.42 -99.25 1.77 Allowed Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.311 -0.471 . . . . 25.0 112.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.71 22.72 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 121.686 0.755 . . . . 25.0 112.5 -179.581 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.21 77.6 8.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.006 0.908 . . . . 25.0 110.357 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.014 2.34 . . . . 25.0 111.986 -179.342 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 124.007 1.861 . . . . 25.0 115.411 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.21 141.73 50.63 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 119.104 -2.248 . . . . 25.0 106.993 176.638 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -56.36 -23.26 36.43 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 114.913 1.449 . . . . 25.0 114.913 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.88 -33.4 57.83 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 178.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 25.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 25.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 25.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 25.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 25.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 25.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 25.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 25.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 25.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 25.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 25.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 25.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 25.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 25.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 25.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 25.0 110.353 178.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 25.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 25.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 25.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 25.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 25.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 25.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 25.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 25.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 25.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 25.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 25.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.07 -42.84 91.32 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.31 -31.29 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.093 -0.379 . . . . 25.0 111.799 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.6 -49.66 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.196 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.17 -31.14 70.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.971 -178.337 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.54 -44.19 78.93 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.93 0.395 . . . . 25.0 110.775 176.643 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.58 83.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.929 0.395 . . . . 25.0 110.218 177.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.8 -36.7 78.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.916 -0.49 . . . . 25.0 110.462 177.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.99 -42.14 98.82 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 120.883 0.373 . . . . 25.0 110.141 178.381 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.1 -33.23 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.117 -0.364 . . . . 25.0 111.567 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.27 66.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.488 0.185 . . . . 25.0 110.649 177.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 -41.05 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.227 0.537 . . . . 25.0 111.025 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.82 -59.11 2.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 -176.344 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 50.14 16.8 0.27 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -174.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -134.25 10.57 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.736 0.779 . . . . 25.0 111.954 -176.142 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -138.81 94.23 2.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.163 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--O 1.214 -0.792 0 CA-C-O 124.135 1.921 . . . . 25.0 109.832 -178.086 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 122.576 1.098 . . . . 25.0 115.529 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.9 145.09 35.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.53 -0.983 . . . . 25.0 110.035 177.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 64.2 mtm 64.62 164.75 0.15 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.124 1.369 . . . . 25.0 114.391 -179.253 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.1 p -154.67 145.94 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.017 -1.845 . . . . 25.0 106.017 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.71 176.51 5.28 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.928 0.491 . . . . 25.0 110.081 -178.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 53.64 63.41 2.21 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 173.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.58 129.68 42.92 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.292 -0.255 . . . . 25.0 110.9 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 2.5 m -64.55 104.57 0.82 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.143 0.497 . . . . 25.0 112.106 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.87 59.56 1.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 25.0 110.219 -179.399 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.78 100.72 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 25.0 109.538 178.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -157.61 141.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 103.427 -2.805 . . . . 25.0 103.427 179.026 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.9 164.49 37.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.792 -1.559 . . . . 25.0 106.792 -178.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 96.4 mtp -87.6 129.26 35.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.168 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.29 176.77 48.03 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t0 37.87 55.47 1.59 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 65.3 p -85.41 38.47 0.73 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 121.587 -0.696 . . . . 25.0 110.381 179.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.0 t -85.9 113.44 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.989 0.899 . . . . 25.0 109.603 -177.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.4 m -88.93 73.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -175.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 86.51 -25.27 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.462 1 N-CA-C 122.064 4.098 . . . . 25.0 122.064 172.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.58 136.37 30.66 Favored 'Trans proline' 0 C--N 1.362 1.242 1 C-N-CA 110.441 -5.906 . . . . 25.0 111.935 176.435 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.11 154.34 42.08 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -173.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.92 -178.78 4.38 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 CA-C-O 121.849 0.687 . . . . 25.0 111.537 171.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.406 HD23 ' H ' ' B' ' 123' ' ' LEU . 2.2 pt? -59.52 147.49 36.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 174.227 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -50.28 -33.74 8.91 Favored Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 121.304 3.816 . . . . 25.0 121.304 -168.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.14 96.1 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 113.697 -3.735 . . . . 25.0 114.343 178.143 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.0 121.66 19.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 178.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.7 t -162.57 141.97 9.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.1 87.24 8.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.27 132.48 16.5 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 114.704 1.002 . . . . 25.0 114.704 -174.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.4 p -96.53 14.41 24.75 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.67 179.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 66.57 11.0 7.83 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.56 -170.25 44.07 Favored Glycine 0 C--N 1.319 -0.386 0 CA-C-N 115.962 -0.563 . . . . 25.0 113.358 175.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.36 144.04 49.67 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 CA-C-N 118.59 1.195 . . . . 25.0 112.105 -178.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -80.55 43.48 1.54 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 114.562 0.947 . . . . 25.0 114.562 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.81 41.78 93.4 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.987 -0.625 . . . . 25.0 113.123 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -85.57 22.0 1.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -145.01 149.13 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 179.004 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.04 129.42 1.05 Allowed Glycine 0 C--O 1.224 -0.492 0 N-CA-C 111.103 -0.799 . . . . 25.0 111.103 176.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.65 157.15 12.47 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.816 -0.514 . . . . 25.0 111.816 -177.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.6 t 54.19 26.44 6.7 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 74.8 mt -84.76 46.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.121 -0.49 . . . . 25.0 110.239 -179.024 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.59 136.75 52.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.479 0.657 . . . . 25.0 111.165 -174.4 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.7 p -149.19 149.71 31.44 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 103.104 -2.925 . . . . 25.0 103.104 172.156 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.97 139.38 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -178.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.4 mm -107.04 122.2 60.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.1 t -103.18 -4.24 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.93 0.871 . . . . 25.0 108.725 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 51.56 17.92 0.63 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.058 2.244 . . . . 25.0 117.058 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 78.62 2.24 84.75 Favored Glycine 0 C--O 1.222 -0.599 0 O-C-N 122.008 -0.433 . . . . 25.0 112.615 179.058 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.06 125.96 23.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 -179.498 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.39 44.61 0.16 Allowed Glycine 0 C--O 1.223 -0.572 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.079 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -104.42 -125.07 0.22 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.446 0.298 . . . . 25.0 110.92 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp 67.06 122.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.841 1.656 . . . . 25.0 114.543 -178.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.5 m -83.84 68.66 10.03 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.956 -1.02 . . . . 25.0 113.653 -175.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 154' ' ' VAL . 3.3 m -81.58 49.75 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.896 0.855 . . . . 25.0 110.827 176.427 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.31 167.91 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.035 -0.984 . . . . 25.0 109.626 -176.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 25.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 159' ' ' VAL . . . . . 0.4 ' H ' HG12 ' B' ' 159' ' ' VAL . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 25.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 25.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 25.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 25.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 25.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.02 -37.02 85.52 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.63 -20.84 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.68 -16.49 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.527 0.68 . . . . 25.0 109.884 175.509 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -93.67 -0.49 56.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.61 -0.723 . . . . 25.0 112.157 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 64.07 -145.28 49.59 Favored Glycine 0 C--O 1.217 -0.925 0 C-N-CA 119.749 -1.215 . . . . 25.0 110.177 -176.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -81.5 -54.55 3.47 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 116.612 1.405 . . . . 25.0 116.612 -178.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 12.4 m -133.17 46.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 -170.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -111.18 102.45 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.294 1.045 . . . . 25.0 110.072 175.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.212 -0.912 0 CA-C-O 124.399 2.047 . . . . 25.0 112.568 175.962 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.504 2.265 0 CA-C-O 122.765 1.269 . . . . 25.0 113.582 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -94.15 -1.0 54.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.699 -1.251 . . . . 25.0 110.198 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.05 -40.32 73.34 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -176.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -68.66 -35.77 77.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.758 0.281 . . . . 25.0 111.758 178.021 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 25.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 25.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 25.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 25.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 25.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 25.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 25.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 25.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 25.0 110.97 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 25.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 25.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 25.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 25.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 25.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 25.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 23' ' ' ALA . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 25.0 109.623 175.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 25.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 25.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 25.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD22 HD12 ' B' ' 168' ' ' LEU . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 25.0 111.079 -178.274 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 25.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 25.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 25.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 25.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 25.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 25.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 25.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.23 -40.11 80.86 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.92 -34.98 69.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 179.008 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.9 t -70.8 -47.72 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.536 -0.466 . . . . 25.0 110.659 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.33 -33.47 76.05 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.09 -38.57 82.47 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.0 -0.437 . . . . 25.0 111.183 177.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.13 95.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.354 0.597 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.08 -36.66 75.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.557 0.694 . . . . 25.0 110.687 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -66.5 -39.27 88.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.732 -0.605 . . . . 25.0 111.191 176.115 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.94 -34.49 78.09 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.163 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.72 -28.24 66.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.163 0.185 . . . . 25.0 110.85 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.67 -38.92 25.14 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.972 0.415 . . . . 25.0 111.529 174.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.93 -56.01 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -176.161 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 38.44 35.43 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.572 1.693 . . . . 25.0 115.572 -176.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp 55.05 21.54 3.88 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -179.442 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -124.17 60.76 1.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.801 1.286 . . . . 25.0 112.644 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.936 1.827 . . . . 25.0 111.052 175.435 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 122.848 1.249 . . . . 25.0 116.033 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 26.74 4.0 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 121.885 -0.773 . . . . 25.0 110.574 -177.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.3 mtt 60.34 178.95 0.1 Allowed 'General case' 0 N--CA 1.481 1.081 0 O-C-N 124.341 1.025 . . . . 25.0 112.009 -176.131 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.23 148.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 178.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.8 46.85 1.36 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.438 -0.789 . . . . 25.0 112.177 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.17 64.57 1.07 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.967 0.889 . . . . 25.0 109.012 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -86.89 41.65 0.98 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.055 0.761 . . . . 25.0 113.055 -175.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.0 m -77.43 58.6 1.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.811 1.411 . . . . 25.0 114.811 -176.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 55.85 32.73 20.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.861 0.865 . . . . 25.0 112.027 179.246 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.56 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.438 0.637 . . . . 25.0 111.928 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 m -110.58 68.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.278 0.561 . . . . 25.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.47 69.12 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 41.8 ttm 31.73 72.76 0.07 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 172.467 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 32.97 3.1 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.573 178.054 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -141.77 106.04 4.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.185 -2.154 . . . . 25.0 105.185 -179.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -98.21 9.39 43.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.398 -1.274 . . . . 25.0 112.069 -176.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.29 112.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.694 0.759 . . . . 25.0 111.351 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -125.9 96.15 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.12 -27.84 0.09 OUTLIER Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 117.677 2.473 . . . . 25.0 117.677 -178.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -80.12 4.14 7.03 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 113.304 -3.997 . . . . 25.0 113.754 179.451 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.78 141.46 90.0 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 122.271 -0.268 . . . . 25.0 111.592 -178.419 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -79.47 -176.92 3.51 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 CA-C-O 121.607 0.586 . . . . 25.0 111.669 173.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.37 148.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 169.442 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.47 -45.38 97.34 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 117.97 2.582 . . . . 25.0 117.97 -171.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.64 135.63 24.29 Favored 'Trans proline' 0 CA--C 1.539 0.739 1 C-N-CA 112.403 -4.598 . . . . 25.0 114.006 -175.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.9 t -155.72 172.74 17.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 179.065 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -132.32 115.83 16.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -132.79 79.61 63.39 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 121.541 0.686 . . . . 25.0 111.029 -175.593 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -78.65 144.05 19.4 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 118.124 -0.784 . . . . 25.0 112.904 -178.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 58.1 p -112.27 -7.83 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.718 -0.614 . . . . 25.0 111.498 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.8 p -153.46 165.49 35.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -102.51 169.48 19.46 Favored Glycine 0 C--O 1.234 0.154 0 N-CA-C 109.099 -1.6 . . . . 25.0 109.099 177.398 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.99 146.49 47.25 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 CA-C-N 119.138 1.469 . . . . 25.0 112.835 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -81.56 54.14 4.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.107 1.205 . . . . 25.0 113.152 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.62 -155.56 16.47 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 109.236 -1.545 . . . . 25.0 109.236 -174.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -150.8 -55.5 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.858 0.329 . . . . 25.0 111.195 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -146.27 -58.16 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -179.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.96 -161.0 34.31 Favored Glycine 0 C--O 1.221 -0.663 0 N-CA-C 110.328 -1.109 . . . . 25.0 110.328 -176.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.36 59.35 0.47 Allowed Glycine 0 C--O 1.221 -0.71 0 C-N-CA 121.226 -0.512 . . . . 25.0 112.864 179.203 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 4.0 p -132.38 77.94 1.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.072 0.463 . . . . 25.0 111.002 -178.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -139.21 70.2 1.37 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.579 -178.235 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.61 130.76 40.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -152.22 157.3 41.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 174.561 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.21 125.3 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mt -75.15 125.18 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 -179.423 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 t -141.37 -0.63 1.4 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.678 0.752 . . . . 25.0 112.582 -178.424 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 47.4 28.14 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.97 10.32 72.12 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.574 -0.822 . . . . 25.0 114.975 -176.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -138.63 125.36 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 116.835 0.318 . . . . 25.0 110.168 -177.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -104.9 62.76 0.34 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.004 -0.839 . . . . 25.0 111.004 178.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 154.45 41.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 25.0 111.904 -178.854 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.74 -48.59 76.42 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 -175.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 6.5 t -173.13 -167.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 103.895 -2.631 . . . . 25.0 103.895 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.31 9.14 8.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 114.837 -1.074 . . . . 25.0 109.628 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt -140.78 164.27 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.514 -0.766 . . . . 25.0 111.278 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 25.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 25.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 25.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 168' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 41' ' ' LEU . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 25.0 111.847 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 25.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.69 -36.02 81.57 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 25.0 111.058 175.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -77.37 -29.0 53.09 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 59.6 mt -65.85 -14.82 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.824 -0.548 . . . . 25.0 111.156 177.05 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -87.36 0.61 55.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.188 178.142 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 78.49 178.73 50.24 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 -178.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.5 20.6 4.99 Favored Glycine 0 C--O 1.217 -0.91 0 O-C-N 122.168 -0.607 . . . . 25.0 114.488 -177.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.89 9.57 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.425 0.631 . . . . 25.0 111.166 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.15 1.47 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.18 1.943 . . . . 25.0 110.809 178.675 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 123.801 1.762 . . . . 25.0 113.52 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 53.71 28.42 8.09 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.997 1.319 . . . . 25.0 113.557 -178.343 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.99 -28.05 62.03 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -175.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -76.3 -34.5 59.06 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.826 -0.546 . . . . 25.0 112.15 176.669 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 25.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 25.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 25.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 25.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 25.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 25.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 25.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 25.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 25.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 25.0 110.861 -177.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 25.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 25.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 25.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 25.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 25.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 25.0 110.517 178.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 25.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 25.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 25.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 25.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 25.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 25.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 25.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 25.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 25.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 25.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -58.35 -40.72 82.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -73.04 -31.48 64.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.54 -46.95 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.761 -0.587 . . . . 25.0 110.186 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -69.35 -31.56 70.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -178.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.7 tp -67.36 -39.49 85.72 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.958 176.504 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.81 91.46 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 -178.726 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -72.39 -37.39 68.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.506 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.68 -40.76 97.62 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.987 -0.445 . . . . 25.0 111.262 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -68.21 -35.22 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.87 -0.519 . . . . 25.0 110.333 178.147 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.21 67.68 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.201 -0.312 . . . . 25.0 110.657 176.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.87 -19.44 57.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.928 0.394 . . . . 25.0 110.654 176.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -96.41 -55.07 3.05 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -177.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 49.23 34.43 6.14 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.185 0.994 . . . . 25.0 112.312 -176.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -121.67 29.74 7.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.493 0.663 . . . . 25.0 111.38 -173.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -121.01 80.12 1.6 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 122.378 1.085 . . . . 25.0 110.911 -176.175 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--O 1.206 -1.232 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 -177.901 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.74 26.78 13.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.131 1.372 . . . . 25.0 113.581 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.8 mtm -78.19 137.29 38.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.5 145.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -72.77 142.41 48.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 25.0 111.582 179.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.94 159.58 42.97 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.54 18.29 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.59 0.71 . . . . 25.0 109.99 177.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -68.86 150.41 47.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.718 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 43.1 mt 59.3 24.73 13.27 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 177.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.14 110.72 17.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.029 -0.419 . . . . 25.0 110.011 178.42 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.74 43.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 121.858 0.837 . . . . 25.0 111.376 -175.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.91 -0.33 57.29 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.8 mtt 54.89 -156.33 0.24 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.562 0.538 . . . . 25.0 111.672 -174.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.17 165.04 12.12 Favored Glycine 0 C--O 1.219 -0.784 0 N-CA-C 111.818 -0.513 . . . . 25.0 111.818 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -85.04 52.35 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.203 1.002 . . . . 25.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.0 p -115.23 41.08 2.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.306 -0.861 . . . . 25.0 108.75 -175.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.53 130.87 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.77 80.35 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.635 0.731 . . . . 25.0 111.91 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -97.94 -64.2 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 103.732 -2.692 . . . . 25.0 103.732 166.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.96 154.7 42.89 Favored 'Trans proline' 0 C--N 1.358 1.074 1 C-N-CA 111.839 -4.974 . . . . 25.0 110.044 163.377 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.39 60.22 50.96 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 113.378 0.881 . . . . 25.0 113.378 179.159 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.93 143.63 41.3 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 114.77 -3.02 . . . . 25.0 111.067 177.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.81 146.65 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.32 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 46.7 42.42 1.11 Allowed Pre-proline 0 CA--C 1.56 1.338 0 N-CA-C 116.035 1.865 . . . . 25.0 116.035 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.18 -4.86 7.72 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 114.94 -2.907 . . . . 25.0 114.925 -178.293 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 36.3 p -101.27 139.93 36.25 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -172.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.5 m 67.59 170.22 0.26 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.073 1.483 . . . . 25.0 114.826 176.041 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -130.45 120.59 18.95 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 178.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.33 123.35 7.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 117.664 -1.091 . . . . 25.0 114.318 -172.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.72 135.52 47.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.313 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 73.7 m -160.76 145.81 14.31 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.67 -169.06 54.81 Favored Glycine 0 N--CA 1.464 0.51 0 C-N-CA 120.603 -0.808 . . . . 25.0 113.571 175.902 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.11 164.72 29.1 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 CA-C-N 118.174 0.987 . . . . 25.0 110.685 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.12 -0.59 10.48 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 117.875 -0.95 . . . . 25.0 114.082 179.245 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.64 161.89 35.42 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.939 0.736 . . . . 25.0 114.939 178.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -168.69 -33.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.681 -0.26 . . . . 25.0 111.45 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 69.58 -169.01 0.17 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.176 1.39 . . . . 25.0 111.496 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.97 -168.56 18.17 Favored Glycine 0 C--O 1.228 -0.229 0 N-CA-C 112.358 -0.297 . . . . 25.0 112.358 -176.638 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.21 4.79 61.0 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 115.849 1.1 . . . . 25.0 115.849 178.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 46.0 p -86.96 56.57 4.07 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.474 0.916 . . . . 25.0 113.474 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -103.17 20.75 17.09 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.6 134.52 43.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -173.318 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 29.2 m -157.67 160.03 37.56 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.3 145.28 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.87 128.66 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 106.121 -1.807 . . . . 25.0 106.121 178.095 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -111.91 0.06 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 25.0 111.774 -178.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 34.64 62.78 0.49 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.77 46.06 3.61 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-N 115.203 -0.908 . . . . 25.0 112.265 -178.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.14 144.15 32.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 -176.738 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.51 -53.12 0.42 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 110.811 -0.915 . . . . 25.0 110.811 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.28 160.3 15.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 175.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.37 123.31 23.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.6 m 43.77 51.15 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 176.312 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.6 p -72.15 -5.98 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -175.002 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.05 168.34 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 121.407 -0.808 . . . . 25.0 112.618 -177.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 25.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 25.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 25.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 25.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 25.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 25.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.86 -36.86 85.32 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 25.0 109.881 177.209 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.9 -35.9 42.85 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -176.058 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.1 -17.3 64.62 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.732 -0.605 . . . . 25.0 110.789 179.004 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -76.84 -12.45 59.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.318 0.858 . . . . 25.0 113.318 176.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 75.82 -177.78 49.38 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.326 -0.94 . . . . 25.0 111.825 -178.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -118.33 34.11 4.56 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.036 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.5 p -102.58 1.78 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.37 0.605 . . . . 25.0 111.234 -176.644 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 52.12 47.41 24.81 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.187 -0.915 . . . . 25.0 112.766 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.487 1.425 0 C-N-CA 126.325 1.85 . . . . 25.0 111.857 -179.136 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mmm . . . . . 0 N--CA 1.518 2.965 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 61.73 -1.96 0.3 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.29 1.836 . . . . 25.0 115.415 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.48 -36.68 64.41 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.65 -32.94 72.1 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.781 -0.574 . . . . 25.0 111.861 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 25.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 25.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 25.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 25.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 25.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 25.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 25.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 25.0 110.86 -179.176 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 25.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 25.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 25.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 25.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 23' ' ' ALA . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 25.0 110.576 173.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 25.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 25.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 25.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 25.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 25.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 25.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 25.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 25.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 25.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 25.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.56 -40.46 87.41 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.16 -30.18 66.13 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.748 178.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.71 -49.04 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.509 -0.745 . . . . 25.0 111.021 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -67.24 -30.5 70.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.629 0.728 . . . . 25.0 109.497 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.6 -39.79 84.75 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.909 -0.494 . . . . 25.0 109.783 176.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.197 0.453 . . . . 25.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -75.4 -33.59 60.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.005 0.431 . . . . 25.0 110.777 178.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.17 -37.14 78.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.194 -0.316 . . . . 25.0 110.495 175.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.17 -34.65 78.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 175.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -28.64 65.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 25.0 111.277 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.42 -21.99 57.77 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.966 0.412 . . . . 25.0 110.865 177.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.84 -52.65 3.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -177.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 47.16 35.11 3.35 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.133 0.973 . . . . 25.0 113.298 -174.375 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -127.47 13.89 7.07 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.395 0.617 . . . . 25.0 111.543 -176.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -138.97 88.2 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.884 0.85 . . . . 25.0 110.961 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--O 1.207 -1.179 0 C-N-CA 125.261 1.424 . . . . 25.0 113.815 179.638 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 122.898 1.276 . . . . 25.0 114.92 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.57 97.81 Favored 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.56 -0.964 . . . . 25.0 111.584 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.8 ttm 52.17 32.93 11.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 177.06 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.07 149.4 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.539 -0.725 . . . . 25.0 109.736 177.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -119.84 41.98 3.03 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 122.134 0.969 . . . . 25.0 108.45 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.08 31.89 6.26 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -142.65 142.67 32.11 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.601 -0.687 . . . . 25.0 111.506 178.234 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.7 m -141.6 44.18 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.22 13.33 23.1 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.422 -170.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.17 18.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.699 0.285 . . . . 25.0 110.685 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.18 108.93 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 174.316 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.17 -1.19 56.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.553 0.692 . . . . 25.0 109.544 -178.276 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -136.74 160.48 38.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 53.77 4.74 Favored Glycine 0 C--N 1.321 -0.256 0 C-N-CA 121.13 -0.557 . . . . 25.0 112.228 176.285 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.14 64.94 3.41 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.394 1.092 . . . . 25.0 109.917 -176.693 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 37.1 p -96.39 -3.61 43.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.012 -173.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.41 126.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.69 150.72 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.306 0.3 OUTLIER 95.83 -29.76 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.42 0 N-CA-C 120.246 3.424 . . . . 25.0 120.246 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.33 62.79 8.52 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 115.843 -2.305 . . . . 25.0 113.569 179.146 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 121' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 122' ' ' PRO . . . 65.46 169.6 0.1 Allowed Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.754 1.222 . . . . 25.0 110.916 -176.386 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 122' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 121' ' ' ALA . 74.0 Cg_endo -67.75 148.36 77.2 Favored 'Trans proline' 0 C--N 1.349 0.579 1 C-N-CA 112.851 -4.299 . . . . 25.0 111.053 177.268 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.1 167.47 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.045 -175.783 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.324 14.3 pttt 91.35 -30.57 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 121.187 3.773 . . . . 25.0 121.187 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.91 104.08 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 112.516 -4.523 . . . . 25.0 112.056 175.612 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 24.98 3.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.342 0.591 . . . . 25.0 111.169 -173.532 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -88.09 93.38 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.289 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -71.14 153.64 94.32 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-O 120.768 0.318 . . . . 25.0 111.475 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.97 141.1 26.33 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 116.748 -1.701 . . . . 25.0 114.796 -178.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.3 t -76.88 -3.58 39.37 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.859 -0.525 . . . . 25.0 112.398 175.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.5 m 51.42 45.81 27.43 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.25 160.82 53.44 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.317 -0.944 . . . . 25.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.95 157.23 47.37 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 118.856 1.328 . . . . 25.0 112.236 -177.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -69.18 148.08 68.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.155 -1.43 . . . . 25.0 111.879 175.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -115.24 156.71 15.47 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.112 -1.195 . . . . 25.0 110.112 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -161.73 157.76 24.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.079 -2.934 . . . . 25.0 103.079 177.465 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.96 165.41 34.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 118.451 0.569 . . . . 25.0 110.401 -176.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -164.95 167.71 38.79 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.141 -1.984 . . . . 25.0 108.141 177.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.48 175.83 48.08 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 109.565 -1.414 . . . . 25.0 109.565 -176.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 t -154.06 122.31 6.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -142.57 82.51 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.539 -2.022 . . . . 25.0 105.539 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -153.87 159.22 41.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -160.44 162.64 33.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 105.37 -2.085 . . . . 25.0 105.37 -179.548 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.98 121.0 61.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.44 130.96 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.404 0.621 . . . . 25.0 110.823 -173.334 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.8 p -100.78 75.75 1.74 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 122.136 0.969 . . . . 25.0 111.69 178.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -125.4 35.24 4.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 114.484 -1.235 . . . . 25.0 110.32 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.14 40.78 3.07 Favored Glycine 0 CA--C 1.512 -0.124 0 CA-C-N 115.685 -0.689 . . . . 25.0 113.151 -176.043 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.3 p -133.0 137.3 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.396 0.617 . . . . 25.0 110.427 -178.142 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 119.27 73.61 0.41 Allowed Glycine 0 N--CA 1.464 0.565 0 C-N-CA 121.022 -0.609 . . . . 25.0 113.543 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.08 157.16 28.06 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 122.549 -0.383 . . . . 25.0 111.071 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 24.1 tp -145.15 130.94 19.05 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.747 -0.206 . . . . 25.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 37.2 p -132.13 91.44 2.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.08 0.467 . . . . 25.0 111.42 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -99.7 22.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.265 0.555 . . . . 25.0 110.056 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt -140.32 166.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 -179.208 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 25.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 25.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -65.01 -38.38 90.76 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 25.0 110.005 177.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.42 -22.78 60.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.2 -11.66 51.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.119 0.485 . . . . 25.0 111.053 177.427 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -91.61 -5.2 54.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.07 -0.513 . . . . 25.0 111.593 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.77 161.02 9.76 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-O 121.257 0.365 . . . . 25.0 112.417 179.098 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -135.16 26.67 3.22 Favored Glycine 0 C--O 1.219 -0.802 0 CA-C-N 115.365 -0.418 . . . . 25.0 112.181 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.2 p -91.16 -6.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 122.258 1.028 . . . . 25.0 112.235 -177.103 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -120.39 61.01 0.87 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 25.0 109.406 -178.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.208 -1.098 0 CA-C-O 125.153 2.406 . . . . 25.0 110.817 -178.742 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 123.848 1.785 . . . . 25.0 114.083 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 58.37 16.76 4.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 25.0 113.508 -178.486 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -53.18 -46.59 69.03 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.61 -36.67 83.16 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.17 -0.956 . . . . 25.0 111.823 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 25.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 25.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 25.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 25.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 25.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 25.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 25.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 25.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 25.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 25.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 25.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 25.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 25.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 25.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 25.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 25.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 23' ' ' ALA . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 25.0 110.248 176.389 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 25.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 25.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 25.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 25.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 25.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 25.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 25.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 25.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 25.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 25.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 25.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 25.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.17 -42.7 81.61 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -68.18 -34.01 75.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -69.77 -46.9 73.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.384 -178.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.55 -29.71 66.24 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.132 178.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.4 tp -65.43 -39.46 92.12 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.406 -0.361 . . . . 25.0 110.135 176.88 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.94 78.12 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 121.299 0.571 . . . . 25.0 109.971 178.754 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -76.81 -37.58 55.49 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.362 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -62.41 -40.62 97.13 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.057 0.456 . . . . 25.0 110.088 176.409 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.77 -38.25 86.21 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.729 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.95 71.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.874 0.369 . . . . 25.0 111.253 176.737 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -36.9 61.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.699 0.285 . . . . 25.0 110.443 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.54 -43.71 96.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.515 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -77.68 5.08 9.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.881 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.63 5.38 28.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.542 -0.724 . . . . 25.0 111.229 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -126.34 121.16 31.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 176.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.313 -1.012 0 CA-C-O 126.144 2.878 . . . . 25.0 111.237 -179.583 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.189 0 CA-C-O 121.901 0.723 . . . . 25.0 113.989 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.37 127.12 31.78 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.637 -0.919 . . . . 25.0 109.044 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.1 ttm -153.11 159.59 42.78 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -93.85 130.24 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 177.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -125.58 121.89 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.35 89.98 3.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -111.0 16.75 21.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.586 0.708 . . . . 25.0 110.504 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 m -127.14 154.01 45.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.55 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.2 24.05 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.65 125.13 15.69 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.73 104.9 10.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.141 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.63 64.81 8.24 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.529 0.68 . . . . 25.0 110.37 -175.681 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -136.38 157.98 45.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.3 111.36 0.43 Allowed Glycine 0 C--O 1.214 -1.119 0 C-N-CA 119.781 -1.2 . . . . 25.0 112.331 179.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -140.12 106.07 5.19 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.372 -2.085 . . . . 25.0 105.372 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 74.5 p -116.0 17.68 15.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.527 -1.215 . . . . 25.0 108.092 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.73 102.45 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 CA-C-O 121.879 0.847 . . . . 25.0 109.09 -177.419 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.86 107.71 2.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 176.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 0.7 OUTLIER -95.15 -21.25 0.23 Allowed Pre-proline 0 CA--C 1.558 1.267 0 N-CA-C 120.186 3.402 . . . . 25.0 120.186 -170.573 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.82 19.1 1.04 Allowed 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 114.953 -2.898 . . . . 25.0 114.529 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.52 52.08 12.02 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 178.713 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.23 152.5 39.76 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 114.644 -3.104 . . . . 25.0 111.679 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.39 139.76 55.82 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 171.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -60.5 -38.75 60.69 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 -178.231 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.32 127.2 11.68 Favored 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 111.447 -5.236 . . . . 25.0 111.325 172.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.83 8.27 3.27 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -172.648 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.95 36.54 3.06 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.132 -0.98 . . . . 25.0 112.346 -176.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -138.37 89.44 13.98 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 120.839 0.352 . . . . 25.0 110.061 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.17 151.34 34.29 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 115.68 -2.413 . . . . 25.0 112.665 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 19.5 p -71.82 104.48 3.45 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 179.162 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 63.5 p -144.79 163.31 34.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -94.68 178.75 36.74 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.284 -0.726 . . . . 25.0 111.284 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.49 160.49 49.04 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-N 118.572 1.186 . . . . 25.0 111.679 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.86 41.19 0.88 Allowed 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 121.025 1.15 . . . . 25.0 114.258 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.61 177.7 50.39 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 110.726 -0.95 . . . . 25.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -129.7 19.02 5.66 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.964 0.411 . . . . 25.0 109.996 -179.021 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -92.26 132.76 36.43 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -173.289 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.56 149.08 8.19 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.105 173.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 166.09 156.49 9.45 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 117.627 0.714 . . . . 25.0 111.816 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.3 m -137.86 80.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -132.09 60.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.396 -174.309 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.72 158.22 43.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 112.087 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.5 m -152.71 151.3 30.38 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 105.186 -2.153 . . . . 25.0 105.186 174.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 70.3 t -132.93 121.11 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 -179.498 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.5 134.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -177.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.91 122.78 3.9 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.401 -2.814 . . . . 25.0 103.401 175.677 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -126.98 9.41 6.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.43 -1.259 . . . . 25.0 112.17 -173.344 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.74 37.8 3.06 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.869 -0.605 . . . . 25.0 113.537 -176.491 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.06 140.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.387 0.613 . . . . 25.0 110.3 -175.044 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.41 -49.86 0.52 Allowed Glycine 0 N--CA 1.462 0.42 0 N-CA-C 111.316 -0.714 . . . . 25.0 111.316 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 56.26 -163.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.614 0.765 . . . . 25.0 112.543 177.133 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 18.3 tp -155.76 139.64 16.25 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -178.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 57.7 m 52.77 71.05 0.51 Allowed 'General case' 0 C--O 1.209 -1.041 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 175.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.34 26.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 173.24 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.7 pt -143.95 161.2 15.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 124.349 1.06 . . . . 25.0 108.757 178.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 25.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 25.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 25.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 25.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 25.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 25.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 25.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 25.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.55 -38.67 84.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 178.163 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mt -76.0 -21.7 56.61 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 177.087 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.04 -14.08 59.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.585 0.707 . . . . 25.0 111.537 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -92.44 0.57 57.45 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.433 -0.803 . . . . 25.0 111.069 178.812 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -85.72 -169.23 45.72 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.108 -0.497 . . . . 25.0 112.958 -178.728 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 153.33 -57.74 0.42 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -177.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.05 2.08 7.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-O 121.773 0.797 . . . . 25.0 111.986 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -125.62 99.45 6.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.987 2.327 . . . . 25.0 111.976 179.97 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 123.478 1.609 . . . . 25.0 114.111 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.86 -25.08 67.03 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.236 -1.54 . . . . 25.0 109.412 175.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.47 -33.62 72.85 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.201 178.359 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -82.3 -36.17 27.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.018 -0.427 . . . . 25.0 112.052 175.598 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 25.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 25.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 25.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 25.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 25.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 25.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 25.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 25.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 25.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 25.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 25.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 25.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 25.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 25.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 25.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 25.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 25.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 25.0 111.091 178.706 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 25.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 25.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 25.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 25.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 25.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 25.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 25.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 25.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 25.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 25.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 25.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.65 -39.59 88.91 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -70.15 -27.73 64.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 177.857 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.39 -48.35 67.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 118.957 0.798 . . . . 25.0 109.626 178.658 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.53 -32.35 68.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.087 -0.645 . . . . 25.0 109.842 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.67 -39.84 95.34 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 121.748 -0.595 . . . . 25.0 110.736 176.738 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.69 90.48 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 121.048 0.451 . . . . 25.0 109.851 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.92 -35.47 74.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.491 177.218 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.7 -37.06 79.24 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 121.795 -0.565 . . . . 25.0 110.894 176.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -37.49 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.528 -0.733 . . . . 25.0 110.044 176.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.53 76.99 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.31 70.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.632 . . . . 25.0 110.586 176.44 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.13 -58.25 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 25.0 111.954 -177.418 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 42.05 29.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 116.363 1.986 . . . . 25.0 116.363 -174.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -144.26 29.51 1.3 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -175.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.91 80.8 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.824 0.821 . . . . 25.0 108.942 174.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.5 tm0? . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 123.306 1.527 . . . . 25.0 112.684 -176.458 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.633 0 CA-C-O 123.986 1.881 . . . . 25.0 111.846 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.8 -5.87 44.18 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 111.438 -2.381 . . . . 25.0 109.737 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 8.9 ttt 61.74 30.13 18.29 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.579 -1.191 . . . . 25.0 112.457 -176.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.64 110.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 175.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -149.69 166.47 29.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.192 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.94 151.46 38.68 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 177.072 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.43 -14.54 14.64 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.877 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -157.01 47.8 0.43 Allowed 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.099 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt 62.35 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.905 1.817 . . . . 25.0 115.905 -176.029 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.93 48.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.401 -0.812 . . . . 25.0 110.965 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.04 56.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.501 0.72 . . . . 25.0 112.078 -178.177 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.73 -168.11 0.19 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.543 -178.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 17.8 ptp -162.59 169.33 20.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.52 18.86 22.24 Favored Glycine 0 C--O 1.216 -1.016 0 C-N-CA 121.419 -0.419 . . . . 25.0 113.576 176.237 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.02 -28.47 69.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -178.595 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 63.2 p 49.43 33.63 5.76 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.08 124.84 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.646 0.736 . . . . 25.0 112.137 178.644 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.18 128.6 35.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-N 114.685 -1.143 . . . . 25.0 108.494 175.684 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 97.71 -63.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.476 0 C-N-CA 127.486 2.314 . . . . 25.0 117.246 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.43 -65.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 113.212 -4.059 . . . . 25.0 118.436 -170.598 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.94 98.44 1.19 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -173.077 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.42 17.99 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.54 1.493 . . . . 25.0 115.904 176.535 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.15 168.69 26.18 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -175.431 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 21.5 tttm 69.15 19.26 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.044 0 N-CA-C 119.898 3.295 . . . . 25.0 119.898 179.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.11 157.99 56.81 Favored 'Trans proline' 0 C--N 1.361 1.212 1 C-N-CA 112.237 -4.708 . . . . 25.0 111.743 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -116.38 107.8 15.26 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -148.17 72.93 1.23 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.303 -176.22 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.34 124.87 90.83 Favored Pre-proline 0 N--CA 1.475 0.806 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -77.98 153.34 28.88 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 117.255 -1.364 . . . . 25.0 113.09 -176.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.56 139.23 49.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 177.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 49.8 m -96.94 147.8 23.6 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.075 -0.512 . . . . 25.0 110.395 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.86 177.65 29.23 Favored Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 110.227 -1.149 . . . . 25.0 110.227 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -69.48 147.17 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 117.065 -1.49 . . . . 25.0 111.684 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.31 123.69 8.91 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 117.365 -1.29 . . . . 25.0 114.839 -176.065 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -81.3 -25.1 55.65 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.339 -0.934 . . . . 25.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 57.69 -163.87 0.18 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.036 0.934 . . . . 25.0 111.324 178.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -155.01 156.04 35.24 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 -176.845 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -174.12 -169.49 36.34 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 107.073 -2.411 . . . . 25.0 107.073 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.41 167.35 40.42 Favored Glycine 0 CA--C 1.505 -0.551 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.355 176.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 40.4 m -141.48 99.92 3.67 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.691 0.396 . . . . 25.0 110.122 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.06 70.68 1.44 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.6 mt -127.92 144.11 51.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.471 -1.241 . . . . 25.0 107.924 -175.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 25.6 t -146.87 152.57 38.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 103.963 -2.606 . . . . 25.0 103.963 178.333 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -79.45 132.11 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -179.104 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.4 124.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 25.0 109.837 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.7 t -121.69 -6.73 9.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.433 0.635 . . . . 25.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.91 27.78 9.13 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.279 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.39 41.02 3.02 Favored Glycine 0 N--CA 1.463 0.447 0 C-N-CA 121.292 -0.48 . . . . 25.0 112.244 -179.624 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.49 137.76 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -175.116 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.41 60.11 1.4 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 121.073 -0.584 . . . . 25.0 113.891 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.21 149.54 47.69 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.321 -0.517 . . . . 25.0 111.378 178.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 60.8 tp -136.87 132.9 35.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 179.514 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.2 p -84.83 63.83 8.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.319 0.648 . . . . 25.0 110.044 177.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.76 10.49 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 122.133 0.968 . . . . 25.0 112.112 -178.251 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt -129.7 169.4 20.88 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 C-N-CA 123.767 0.827 . . . . 25.0 111.045 -175.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 25.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 25.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 25.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 25.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 25.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 25.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 25.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 25.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 25.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.57 -39.67 84.88 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 25.0 110.329 175.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -38.38 61.82 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.105 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.97 -21.6 64.95 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.65 0.738 . . . . 25.0 110.909 179.489 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -70.78 -31.0 67.64 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 177.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.97 14.63 53.59 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.26 0.864 . . . . 25.0 115.26 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.11 17.1 41.64 Favored Glycine 0 C--O 1.216 -1.022 0 N-CA-C 115.346 0.898 . . . . 25.0 115.346 -173.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.17 -7.87 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.994 0.902 . . . . 25.0 112.188 -176.562 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.46 105.78 13.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.038 0.923 . . . . 25.0 109.471 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.546 0.802 0 CA-C-O 124.533 2.111 . . . . 25.0 111.638 178.679 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 125.75 2.691 . . . . 25.0 116.444 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.26 -11.22 41.54 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.233 -2.167 . . . . 25.0 112.557 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.24 -22.42 61.07 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 115.531 1.678 . . . . 25.0 115.531 -171.547 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.47 -31.97 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.442 -0.786 . . . . 25.0 111.583 177.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 25.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 25.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 25.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 25.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 25.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 25.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 25.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 25.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 25.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 25.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 25.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 25.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 25.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 25.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 25.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 25.0 111.751 175.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 25.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 25.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 25.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 25.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 25.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 25.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.53 -39.45 80.2 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.24 -33.77 70.15 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.733 -0.387 . . . . 25.0 111.784 178.05 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -71.95 -43.53 67.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 CA-C-N 118.852 0.751 . . . . 25.0 111.297 -179.2 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.63 -31.31 70.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 119.65 -0.82 . . . . 25.0 109.314 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.52 -40.74 85.09 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.025 176.392 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.21 92.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 119.058 0.844 . . . . 25.0 110.787 179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.75 -36.02 79.78 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.739 -0.601 . . . . 25.0 110.202 176.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.06 -38.38 85.69 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.035 -0.416 . . . . 25.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.72 -35.37 78.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.112 -0.368 . . . . 25.0 110.486 176.645 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.47 78.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 123.019 0.528 . . . . 25.0 109.896 177.315 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.45 -23.65 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.583 178.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.39 -63.09 1.34 Allowed 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -178.652 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mm100 43.74 36.06 1.2 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.309 1.044 . . . . 25.0 113.767 -176.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -146.15 84.39 1.64 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.014 -0.539 . . . . 25.0 110.976 -176.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -84.14 73.69 10.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.056 0.931 . . . . 25.0 110.047 -179.537 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 . . . . . 0 C--O 1.207 -1.174 0 CA-C-O 124.483 2.087 . . . . 25.0 110.693 -179.984 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 124.52 2.178 . . . . 25.0 112.973 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.89 -28.73 68.55 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 113.808 -1.196 . . . . 25.0 112.241 -176.523 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 91.2 mtp 47.69 46.62 18.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 176.254 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.81 126.45 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 -178.118 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -123.68 147.85 47.06 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 177.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.31 145.17 40.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 103.432 -2.803 . . . . 25.0 103.432 171.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -123.71 22.28 9.05 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.448 0.906 . . . . 25.0 113.448 -171.586 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 51.0 m -83.23 155.99 23.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 109.902 -178.656 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 66.6 tp -72.59 122.68 21.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 178.395 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.04 126.24 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.2 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.48 33.77 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.43 132.97 11.12 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.4 mtm -115.45 11.53 16.01 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.463 0.477 . . . . 25.0 111.31 -177.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.83 25.96 43.61 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-O 122.157 0.865 . . . . 25.0 112.68 -178.568 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.55 -25.21 67.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.862 0.865 . . . . 25.0 113.121 -176.438 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p 45.21 41.77 6.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.922 1.452 . . . . 25.0 114.922 177.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.81 123.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.534 -0.757 . . . . 25.0 110.814 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -148.23 129.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 175.069 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.51 -51.27 3.26 Favored Pre-proline 0 N--CA 1.475 0.776 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.73 -176.432 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.3 166.05 28.29 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.952 -3.565 . . . . 25.0 111.258 174.608 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.92 100.91 16.07 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 122.098 -0.376 . . . . 25.0 111.03 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -67.99 144.8 65.47 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 116.119 -2.121 . . . . 25.0 110.47 176.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.7 161.6 41.48 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 115.343 1.608 . . . . 25.0 115.343 -177.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 97.89 -52.16 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 120.045 3.35 . . . . 25.0 120.045 170.365 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.19 -47.95 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 1 C-N-CA 112.017 -4.856 . . . . 25.0 116.853 -175.159 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.4 p -145.33 157.09 44.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 -178.268 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 72.2 m -158.44 68.79 0.48 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.261 0.624 . . . . 25.0 111.476 177.353 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -133.2 155.84 80.52 Favored Pre-proline 0 N--CA 1.475 0.78 0 O-C-N 122.203 -0.311 . . . . 25.0 110.377 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 167.0 26.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 118.557 -0.496 . . . . 25.0 112.633 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -120.72 177.05 5.23 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 9.5 t -120.86 177.65 5.02 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 120.973 0.416 . . . . 25.0 109.897 -178.483 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.73 -172.57 23.4 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.433 -1.067 . . . . 25.0 110.433 -179.802 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.97 155.97 66.82 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 119.645 1.722 . . . . 25.0 112.165 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 8.95 3.7 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 121.509 1.473 . . . . 25.0 115.859 -177.665 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 100.54 -169.57 21.49 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -92.65 142.91 26.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.222 -0.658 . . . . 25.0 109.222 -179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.88 131.98 52.42 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.48 179.71 48.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 179.461 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.39 165.67 20.93 Favored Glycine 0 CA--C 1.5 -0.853 0 CA-C-N 118.276 1.038 . . . . 25.0 112.002 179.394 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.4 m -108.39 46.8 0.94 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.302 0.573 . . . . 25.0 111.247 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.5 43.37 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.31 134.12 41.12 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.758 1.021 . . . . 25.0 113.758 -172.111 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 78.9 p -140.22 95.55 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.668 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.93 136.29 23.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.282 0.563 . . . . 25.0 109.882 -171.283 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.84 133.26 32.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.879 -0.601 . . . . 25.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.4 t -121.89 -0.25 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.391 0.615 . . . . 25.0 110.098 179.298 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 52.27 27.06 4.41 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 114.324 -1.307 . . . . 25.0 113.597 176.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.7 67.22 0.4 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.118 -2.393 . . . . 25.0 107.118 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.08 112.28 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 122.131 -0.629 . . . . 25.0 111.657 -177.418 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.72 80.29 0.05 OUTLIER Glycine 0 C--N 1.314 -0.652 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.95 -158.42 0.33 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.219 0.452 . . . . 25.0 112.219 -176.556 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 62.0 tp -142.88 -41.36 0.32 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 -179.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 6.9 m 49.09 72.63 0.28 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.124 0.964 . . . . 25.0 113.406 178.033 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 154' ' ' VAL . . . . . 0.432 ' H ' HG22 ' B' ' 154' ' ' VAL . 1.7 m -74.52 41.88 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.939 170.081 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.1 pt -141.93 166.12 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.734 1.213 . . . . 25.0 109.285 -178.724 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 25.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 25.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 25.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 166' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 25.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 25.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 170' ' ' LYS . . . . . 0.493 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.56 -39.97 88.77 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 25.0 110.376 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.4 mp -75.7 -24.59 56.25 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.51 -15.18 57.14 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.347 0.594 . . . . 25.0 111.376 175.625 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -91.88 -0.01 57.49 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 123.381 0.672 . . . . 25.0 112.482 -177.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -71.74 167.05 52.79 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 111.965 -0.454 . . . . 25.0 111.965 178.566 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 135.08 -59.96 0.65 Allowed Glycine 0 C--O 1.226 -0.345 0 CA-C-O 119.514 -0.603 . . . . 25.0 112.515 -178.317 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.6 m -125.38 21.37 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 117.885 0.842 . . . . 25.0 112.342 -177.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -76.64 86.38 3.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.223 178.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 125.397 2.523 . . . . 25.0 112.767 178.757 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.195 1.474 . . . . 25.0 112.742 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -68.05 -19.74 64.91 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.016 -1.052 . . . . 25.0 108.935 173.663 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.62 -33.18 67.99 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 114.689 -1.142 . . . . 25.0 111.472 177.188 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.54 -36.87 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.659 -0.651 . . . . 25.0 110.987 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 25.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 25.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 25.0 111.669 178.678 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 25.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 25.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 25.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 25.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 25.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 25.0 111.075 178.738 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 25.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 33' ' ' GLN . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -178.9 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 25.0 111.191 176.539 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 25.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 25.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 25.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 25.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 25.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 25.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 25.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 25.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 25.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.72 -38.68 85.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -67.54 -33.75 75.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.171 -0.33 . . . . 25.0 111.386 177.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.78 -47.15 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.798 -0.564 . . . . 25.0 111.629 -178.463 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.25 -32.56 73.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.67 -39.86 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.51 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.0 92.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.981 0.42 . . . . 25.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -68.72 -39.33 80.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.509 . . . . 25.0 109.989 177.904 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -64.15 -40.76 96.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.149 -0.345 . . . . 25.0 110.521 177.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -64.93 -34.35 78.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.028 -0.42 . . . . 25.0 111.704 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.8 68.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.702 0.287 . . . . 25.0 110.935 178.272 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.11 -32.47 59.2 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 176.232 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.46 -51.82 12.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 44.05 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 112.734 -175.319 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -119.14 15.16 13.19 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 115.507 -0.77 . . . . 25.0 111.604 -177.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 53.19 47.73 23.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 123.505 1.621 . . . . 25.0 108.913 -176.823 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.854 0 CA-C-O 125.417 2.532 . . . . 25.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 122.667 1.148 . . . . 25.0 115.254 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -159.27 178.31 10.11 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -179.471 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 62.1 mtt -133.77 148.64 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 176.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.93 118.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 104.913 -2.254 . . . . 25.0 104.913 173.428 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -79.68 156.69 27.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.474 0.654 . . . . 25.0 111.457 -176.287 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.22 161.7 29.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 176.733 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -137.95 147.64 44.5 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 177.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 42.4 p 60.53 168.59 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.871 1.357 . . . . 25.0 113.073 -175.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.8 mt -141.63 168.86 18.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 -178.501 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.0 48.02 0.57 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.7 117.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.004 -1.85 . . . . 25.0 106.004 177.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.12 164.41 35.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 -177.04 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 4.3 ttp 62.44 -179.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.335 1.022 . . . . 25.0 111.711 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -27.91 10.25 Favored Glycine 0 C--O 1.219 -0.817 0 O-C-N 122.109 -0.369 . . . . 25.0 112.626 -176.34 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.78 -29.88 55.32 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.37 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 28.94 5.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.067 -176.637 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 20.9 t -121.21 132.87 69.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.822 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 50.4 t -114.65 118.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -171.107 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.319 0.9 OUTLIER 77.63 -11.95 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 1 N-CA-C 125.09 5.219 . . . . 25.0 125.09 171.717 . . . . . . . . 4 3 . 1 . 034 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.36 140.52 37.0 Favored 'Trans proline' 0 C--N 1.356 0.966 1 C-N-CA 110.679 -5.747 . . . . 25.0 112.276 176.508 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.78 124.47 26.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.91 155.47 34.25 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 116.437 -1.909 . . . . 25.0 111.627 175.76 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.47 51.56 0.35 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.594 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 tptp 60.57 25.61 0.04 OUTLIER Pre-proline 0 CA--C 1.57 1.72 0 N-CA-C 121.677 3.955 . . . . 25.0 121.677 176.701 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -84.62 25.68 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 116.171 -2.086 . . . . 25.0 112.267 167.419 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.55 136.5 58.04 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -169.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 m 64.35 54.29 1.57 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 118.239 2.681 . . . . 25.0 118.239 171.131 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -87.34 110.27 32.44 Favored Pre-proline 0 CA--C 1.545 0.784 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 169.359 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.35 148.29 18.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.26 -2.026 . . . . 25.0 113.348 -177.417 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.7 t -74.47 -15.31 60.9 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.779 -0.575 . . . . 25.0 111.235 177.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.6 m 54.18 -159.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -178.22 169.09 40.7 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.475 -0.869 . . . . 25.0 113.027 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.2 166.8 20.29 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.553 2.169 . . . . 25.0 112.873 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.16 54.28 4.57 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 120.98 1.12 . . . . 25.0 112.681 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.19 -83.64 1.08 Allowed Glycine 0 C--O 1.218 -0.876 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.0 39.53 19.11 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.168 1.173 . . . . 25.0 114.168 178.199 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.26 98.24 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.03 -0.419 . . . . 25.0 111.035 -176.17 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.02 175.94 46.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 110.279 -1.129 . . . . 25.0 110.279 178.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.11 -147.19 16.42 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.819 -0.912 . . . . 25.0 110.819 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.4 m 55.25 37.63 29.19 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 25.0 115.207 176.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.4 tp -129.85 44.97 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.107 0.956 . . . . 25.0 108.611 177.219 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.98 161.55 42.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.803 -177.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -146.6 152.69 39.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 177.04 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.72 160.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 25.0 109.322 -178.833 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.98 123.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.6 t -129.44 2.65 5.08 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.704 0.764 . . . . 25.0 111.484 -176.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.99 52.68 14.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.868 1.318 . . . . 25.0 113.143 177.645 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -117.28 46.16 1.18 Allowed Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 109.433 -1.467 . . . . 25.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.52 130.07 36.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.986 0.422 . . . . 25.0 109.895 -175.621 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.12 48.8 0.95 Allowed Glycine 0 C--O 1.228 -0.278 0 N-CA-C 114.087 0.395 . . . . 25.0 114.087 -177.379 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -72.21 153.2 41.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.68 -103.26 0.17 Allowed 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.952 0.406 . . . . 25.0 111.278 -178.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 62.7 p -139.24 104.11 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.473 -0.767 . . . . 25.0 110.998 -177.16 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.9 p -88.57 12.23 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.393 1.092 . . . . 25.0 109.128 177.163 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt -137.34 165.59 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.805 -1.088 . . . . 25.0 109.044 -178.073 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 25.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 25.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 25.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 25.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 25.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 169' ' ' GLU . . . . . 0.501 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 25.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt -62.32 -40.7 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 25.0 110.235 177.161 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.38 -30.17 47.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.429 1.64 . . . . 25.0 115.429 -178.196 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.46 -16.37 64.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.813 0.816 . . . . 25.0 109.913 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -79.34 0.33 29.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.213 -0.903 . . . . 25.0 112.69 175.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -155.92 -96.13 0.12 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.162 -1.018 . . . . 25.0 115.584 -177.501 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 94.87 -59.67 1.74 Allowed Glycine 0 C--O 1.219 -0.83 0 N-CA-C 111.397 -0.681 . . . . 25.0 111.397 -175.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.7 m -111.34 0.35 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 122.327 1.061 . . . . 25.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.59 77.56 9.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.856 -1.066 . . . . 25.0 110.133 -179.427 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 124.202 1.953 . . . . 25.0 111.908 179.814 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 mtm . . . . . 0 N--CA 1.502 2.16 0 CA-C-O 123.618 1.675 . . . . 25.0 114.36 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -70.32 127.83 34.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 178.412 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -57.76 -25.32 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -176.662 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.6 -28.81 63.97 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.114 -0.991 . . . . 25.0 112.262 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 25.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 25.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 25.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 25.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 25.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 25.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 25.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 25.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 25.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 25.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 25.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 25.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 25.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 25.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 25.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 25.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 25.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 25.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 25.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 25.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 25.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -59.13 -39.05 81.13 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -69.62 -32.22 70.79 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 178.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -71.76 -50.15 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 -178.509 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.21 -34.38 77.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.076 0.465 . . . . 25.0 110.091 179.2 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.89 -44.1 94.01 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.72 175.264 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.11 92.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.01 -42.49 99.85 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.842 0.353 . . . . 25.0 110.333 177.099 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.49 -41.71 92.98 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 122.076 -0.39 . . . . 25.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -66.47 -34.12 77.21 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.289 -0.882 . . . . 25.0 111.631 179.374 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.36 73.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 122.36 -0.213 . . . . 25.0 110.638 176.124 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.55 44.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.821 176.583 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.33 -51.04 33.03 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 43.73 38.75 2.14 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -176.203 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -131.81 18.02 4.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.622 -179.406 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 45.43 48.68 10.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.943 -1.026 . . . . 25.0 113.434 -177.098 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.202 -1.441 0 CA-C-O 122.608 1.194 . . . . 25.0 110.206 178.365 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.07 -39.68 0.54 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.327 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 60.4 mtm 54.49 60.15 3.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 179.169 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.75 147.19 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.758 -178.147 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -85.44 130.4 34.59 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.58 163.96 16.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 175.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.06 -2.19 14.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.657 172.824 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m 44.46 50.83 8.03 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 115.96 1.837 . . . . 25.0 115.96 175.724 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -73.46 122.8 22.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -177.4 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -160.93 104.02 1.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.298 -0.865 . . . . 25.0 109.509 177.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.27 130.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -179.393 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.08 47.82 2.48 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -176.868 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 61.56 -168.46 0.18 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.4 1.08 . . . . 25.0 109.958 -174.043 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.78 -23.52 2.31 Favored Glycine 0 C--O 1.211 -1.302 0 CA-C-O 122.25 0.916 . . . . 25.0 113.39 -174.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -66.29 -32.7 74.27 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -176.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t 31.67 56.3 0.3 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 115.197 1.554 . . . . 25.0 115.197 175.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.88 107.08 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -173.466 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.94 121.17 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 105.08 -2.192 . . . . 25.0 105.08 173.133 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.08 -48.5 6.0 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.14 97.04 0.9 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 115.837 -2.308 . . . . 25.0 112.089 175.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.66 42.68 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.831 -1.174 . . . . 25.0 107.831 -175.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.61 147.51 63.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 116.134 -2.111 . . . . 25.0 111.705 177.531 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.78 145.55 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -175.029 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 70.7 tttt 52.32 61.16 12.36 Favored Pre-proline 0 N--CA 1.48 1.038 0 N-CA-C 115.441 1.645 . . . . 25.0 115.441 175.505 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.65 152.64 74.38 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 116.223 -2.051 . . . . 25.0 110.847 170.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 41.0 p -133.71 65.65 1.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.901 -0.499 . . . . 25.0 110.55 -177.21 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -141.09 52.27 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.7 97.31 21.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 120.486 0.184 . . . . 25.0 111.338 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -84.03 119.28 2.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 N-CA-C 115.579 1.338 . . . . 25.0 115.579 -176.082 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.9 t -153.99 158.31 40.41 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.461 -0.775 . . . . 25.0 109.101 172.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -155.56 18.95 0.4 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.9 0.381 . . . . 25.0 110.614 178.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.53 -169.41 54.92 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.116 -0.824 . . . . 25.0 111.398 -177.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.51 153.87 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 119.376 1.588 . . . . 25.0 111.507 179.266 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.13 12.9 1.39 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 116.534 1.705 . . . . 25.0 116.534 -178.416 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.34 20.3 78.12 Favored Glycine 0 N--CA 1.465 0.595 0 O-C-N 121.743 -0.598 . . . . 25.0 114.282 177.147 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.17 47.18 0.77 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -176.169 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -124.25 129.44 50.78 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 121.307 0.575 . . . . 25.0 110.447 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.14 167.89 37.34 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 177.039 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.81 136.6 2.13 Favored Glycine 0 CA--C 1.508 -0.386 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 45.3 m -152.02 85.77 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 179.507 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 36.0 tp -141.95 85.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 -175.226 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.19 167.83 29.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.385 -0.37 . . . . 25.0 110.192 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.4 p -147.17 160.47 42.41 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 102.104 -3.295 . . . . 25.0 102.104 171.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.07 125.22 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -178.189 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -76.67 120.94 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -175.533 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -129.4 -0.38 5.04 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.089 0.947 . . . . 25.0 109.824 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 44.44 27.46 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 117.388 2.366 . . . . 25.0 117.388 178.341 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.39 29.14 5.82 Favored Glycine 0 CA--C 1.517 0.196 0 O-C-N 120.986 -1.071 . . . . 25.0 113.335 178.267 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.49 137.88 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 121.847 0.832 . . . . 25.0 109.886 -177.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.24 71.31 1.24 Allowed Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.552 -0.619 . . . . 25.0 111.552 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.34 -30.99 31.25 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp 50.6 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.98 1.845 . . . . 25.0 115.98 177.007 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 70.9 m -131.03 88.73 2.64 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.2 p -73.86 -2.72 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 122.139 0.971 . . . . 25.0 110.351 179.469 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.06 171.65 2.06 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.213 177.657 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 25.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 25.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 25.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 25.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.54 -38.94 67.86 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 176.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -21.42 62.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.33 -17.38 58.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.521 174.148 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -99.28 3.2 46.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -176.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.1 49.94 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 109.945 -1.262 . . . . 25.0 109.945 -176.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -133.14 41.7 1.45 Allowed Glycine 0 C--O 1.209 -1.416 0 N-CA-C 111.295 -0.722 . . . . 25.0 111.295 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.35 34.4 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.575 0 CA-C-O 121.79 0.805 . . . . 25.0 111.697 -176.221 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 50.42 78.0 0.11 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 177.197 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 125.236 2.446 . . . . 25.0 113.682 178.253 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 126.75 3.167 . . . . 25.0 113.964 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.32 8.93 41.64 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 119.742 -1.849 . . . . 25.0 113.921 -174.47 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.45 -43.98 72.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.058 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -69.91 -33.54 72.32 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.767 -0.583 . . . . 25.0 112.32 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 25.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 25.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 25.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 25.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 25.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 25.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 25.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 25.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 25.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 25.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 25.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 25.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 25.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 25.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 25.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 25.0 110.967 177.17 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 25.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 25.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 25.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 25.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 25.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 25.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 25.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.76 -41.04 85.63 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -68.91 -32.72 72.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 178.388 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.57 -46.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.003 -0.435 . . . . 25.0 110.083 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -71.26 -30.05 65.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.7 -38.51 89.43 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 116.061 -0.518 . . . . 25.0 110.056 175.272 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.13 97.24 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.941 -0.474 . . . . 25.0 109.764 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.09 -39.47 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.462 . . . . 25.0 110.874 175.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.1 -36.37 81.8 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.05 -0.407 . . . . 25.0 111.805 178.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 173.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.96 -21.4 62.34 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 122.719 0.408 . . . . 25.0 111.12 178.079 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.89 44.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.296 0.569 . . . . 25.0 109.751 175.449 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.67 -50.11 5.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -176.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 47.14 39.79 8.82 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.346 -1.297 . . . . 25.0 113.42 -176.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -133.1 19.23 4.07 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 121.316 0.579 . . . . 25.0 112.048 179.646 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.92 125.61 19.35 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 176.077 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 123.689 1.709 . . . . 25.0 112.016 -175.72 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.462 0 CA-C-O 124.511 2.173 . . . . 25.0 113.673 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.59 -144.71 0.62 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 111.012 -2.594 . . . . 25.0 110.231 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 49.8 tpp -137.72 143.43 41.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.57 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.99 136.48 60.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.793 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 177.54 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -132.54 134.59 45.17 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 -177.501 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.06 58.89 4.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.98 0.512 . . . . 25.0 111.866 -174.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -63.32 126.22 26.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.047 -175.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t -74.21 125.01 27.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 173.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.41 29.9 5.92 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 177.88 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.28 77.75 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.474 -0.785 . . . . 25.0 113.051 -176.461 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t 37.42 56.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.07 148.13 26.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.396 179.149 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.2 mtm -109.59 85.54 2.12 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 122.357 -0.214 . . . . 25.0 110.493 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.64 21.83 67.43 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 114.063 0.385 . . . . 25.0 114.063 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.04 -49.9 26.07 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.823 0.82 . . . . 25.0 112.378 -175.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 82.3 p -113.14 7.74 18.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.86 -0.525 . . . . 25.0 111.298 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.01 133.75 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.361 0.601 . . . . 25.0 110.85 -172.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.1 89.37 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.02 -48.71 78.14 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -84.61 12.21 3.12 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 116.344 -1.971 . . . . 25.0 117.199 -177.627 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.93 47.81 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 115.327 1.602 . . . . 25.0 115.327 -178.08 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.24 147.92 43.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 114.055 -3.497 . . . . 25.0 111.449 -177.064 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.09 153.18 35.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.283 -178.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.275 40.0 ttmt 71.12 -95.6 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 CA-C-O 116.831 -1.557 . . . . 25.0 110.537 -175.125 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 147.42 53.07 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 108.388 -7.275 . . . . 25.0 110.709 171.804 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.3 p -120.27 13.86 12.02 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 122.067 -0.396 . . . . 25.0 111.676 -175.706 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 31.8 m -139.86 150.44 44.65 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.27 156.98 91.05 Favored Pre-proline 0 C--N 1.321 -0.637 0 O-C-N 123.767 0.667 . . . . 25.0 109.413 178.224 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.55 133.94 27.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 116.899 -1.601 . . . . 25.0 112.164 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.8 t -150.07 160.51 43.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 p -153.56 42.87 0.57 Allowed 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -179.331 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.33 176.12 41.64 Favored Glycine 0 CA--C 1.524 0.641 0 O-C-N 121.165 -0.96 . . . . 25.0 114.439 178.858 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.02 163.51 30.79 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 121.566 1.51 . . . . 25.0 111.594 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.15 160.61 32.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 N-CA-C 113.968 0.718 . . . . 25.0 113.968 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.01 60.58 0.44 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.023 -0.535 . . . . 25.0 114.111 179.179 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.63 119.72 30.29 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.604 -0.35 . . . . 25.0 110.297 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -139.62 152.82 47.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.229 0.538 . . . . 25.0 110.374 -177.154 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.02 171.65 44.0 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 108.484 -1.846 . . . . 25.0 108.484 176.642 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.4 3.23 89.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.045 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 51.8 p -138.25 68.66 1.39 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.323 0.649 . . . . 25.0 111.625 -174.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -99.23 -1.48 39.05 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -176.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 mt 63.07 158.71 0.07 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.999 1.72 . . . . 25.0 114.087 178.485 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.9 m -156.48 154.01 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -89.33 129.26 40.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 177.228 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.76 118.25 15.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 N-CA-C 106.719 -1.585 . . . . 25.0 106.719 178.003 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.8 t -131.07 -4.85 3.92 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -176.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.39 40.8 4.04 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 114.116 -1.402 . . . . 25.0 113.865 177.046 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.32 17.29 48.83 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.578 -0.737 . . . . 25.0 113.85 -174.827 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -146.43 139.4 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 179.422 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.52 -76.11 0.21 Allowed Glycine 0 C--O 1.218 -0.896 0 N-CA-C 108.918 -1.673 . . . . 25.0 108.918 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 151.68 48.76 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.73 0.776 . . . . 25.0 109.975 176.604 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.32 125.89 46.6 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.2 m 54.62 85.97 0.06 Allowed 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 113.972 1.101 . . . . 25.0 113.972 -177.235 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.34 -2.71 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 114.883 -1.053 . . . . 25.0 110.8 171.195 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt -111.66 160.28 11.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 178.162 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 25.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 25.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 25.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 25.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 25.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 25.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.65 -38.27 86.54 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 175.009 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -34.11 71.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -178.498 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.81 -19.68 43.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 177.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -80.19 -10.56 59.77 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -177.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 63.02 16.04 56.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 116.43 1.332 . . . . 25.0 116.43 178.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.55 43.57 Favored Glycine 0 C--O 1.223 -0.559 0 CA-C-N 117.656 0.728 . . . . 25.0 113.495 -177.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.69 5.88 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.193 0.52 . . . . 25.0 111.862 -173.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -112.91 95.16 5.26 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 178.095 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 124.306 2.003 . . . . 25.0 114.074 -176.221 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 123.148 1.451 . . . . 25.0 114.568 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.07 23.59 0.85 Allowed 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.672 -1.267 . . . . 25.0 111.745 -178.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -55.5 -24.2 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.488 0.715 . . . . 25.0 112.884 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.03 -33.3 75.13 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.394 -0.816 . . . . 25.0 112.371 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 25.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 25.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 25.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 25.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 25.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 25.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 25.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 25.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 25.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 25.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 25.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 25.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 25.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 25.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 25.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 25.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 25.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 25.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 25.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 25.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 25.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 25.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 25.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.68 -41.26 90.26 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -71.13 -30.02 65.97 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.2 t -72.08 -47.29 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 121.439 -0.788 . . . . 25.0 110.811 178.712 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.81 -29.52 66.83 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.61 179.237 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.38 -43.31 94.9 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 110.153 -0.314 . . . . 25.0 110.153 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.94 77.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.815 0.341 . . . . 25.0 110.208 179.031 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.32 -42.81 83.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.277 0.561 . . . . 25.0 109.923 177.896 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.21 -35.71 81.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.184 -0.462 . . . . 25.0 112.124 -179.588 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.76 -37.11 80.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.904 -0.497 . . . . 25.0 109.924 177.476 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.0 -22.16 61.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.83 -34.58 33.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 172.667 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.31 -52.93 14.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.137 -0.483 . . . . 25.0 112.19 -177.117 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 47.76 27.22 1.04 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.795 1.405 . . . . 25.0 114.795 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -134.84 6.35 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.849 -0.532 . . . . 25.0 111.083 -178.444 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -138.96 101.24 4.24 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -176.002 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--O 1.205 -1.252 0 CA-C-O 123.661 1.696 . . . . 25.0 112.629 -178.337 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.689 0 CA-C-O 124.278 2.044 . . . . 25.0 114.943 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 154.86 26.87 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 113.574 -1.313 . . . . 25.0 109.392 179.094 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -73.19 142.77 47.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.603 0.716 . . . . 25.0 110.114 178.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -160.98 137.02 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 178.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -146.68 15.65 1.25 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.511 0.672 . . . . 25.0 109.837 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 68.71 173.35 0.29 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.63 1.572 . . . . 25.0 112.975 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -151.81 124.4 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.615 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -150.4 89.72 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.449 0.642 . . . . 25.0 109.313 -178.64 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 68.6 mt -120.76 106.61 11.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -177.016 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.98 70.22 0.49 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 121.084 0.468 . . . . 25.0 110.392 -178.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 29.6 t -125.06 76.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.359 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.48 75.39 0.49 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.331 -174.344 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.8 mmt -94.58 5.73 50.95 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 177.076 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.75 144.67 16.89 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 110.318 -1.113 . . . . 25.0 110.318 -179.706 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.96 -66.47 0.3 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.755 0.788 . . . . 25.0 109.855 -178.062 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 10.6 t -141.43 -6.48 1.03 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.227 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 29.6 t -101.93 88.95 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.484 0.659 . . . . 25.0 110.636 -177.614 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.5 t -142.7 74.14 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 176.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -63.84 -39.8 49.59 Favored Pre-proline 0 CA--C 1.554 1.098 0 N-CA-C 116.619 2.081 . . . . 25.0 116.619 -175.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.07 145.48 31.27 Favored 'Trans proline' 0 C--N 1.353 0.777 1 C-N-CA 112.846 -4.303 . . . . 25.0 112.355 179.837 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.83 72.6 5.84 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.503 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.91 149.31 53.22 Favored 'Trans proline' 0 C--O 1.219 -0.461 0 C-N-CA 115.878 -2.281 . . . . 25.0 112.747 178.928 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.466 HD23 ' H ' ' B' ' 123' ' ' LEU . 1.4 pt? -90.12 168.26 12.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.168 -0.924 . . . . 25.0 109.239 175.225 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.02 -53.89 1.89 Allowed Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 117.408 2.373 . . . . 25.0 117.408 -174.828 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.83 99.59 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 115.064 -2.824 . . . . 25.0 111.959 173.804 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.0 t -131.39 15.52 5.01 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.69 -175.693 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -69.53 105.24 2.57 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.891 -0.595 . . . . 25.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.37 161.79 34.75 Favored Pre-proline 0 C--O 1.25 1.101 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 179.685 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.78 160.45 46.17 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 114.837 -2.975 . . . . 25.0 110.406 174.564 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 39.6 p -75.3 -16.99 60.38 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.698 -0.626 . . . . 25.0 110.54 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.9 m 55.51 -164.23 0.13 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 178.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.04 160.49 23.07 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-O 119.099 -0.834 . . . . 25.0 112.626 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.03 163.73 15.49 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 CA-C-N 119.268 1.534 . . . . 25.0 113.12 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.42 118.72 5.26 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 117.817 -0.989 . . . . 25.0 112.765 175.593 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.25 -145.21 34.35 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 120.112 -1.042 . . . . 25.0 111.173 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.69 165.62 0.09 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.39 1.076 . . . . 25.0 113.586 -175.404 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.2 t30 47.21 40.24 9.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.674 1.361 . . . . 25.0 114.674 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -102.95 -164.13 25.85 Favored Glycine 0 N--CA 1.462 0.421 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.472 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.34 -161.04 10.2 Favored Glycine 0 C--O 1.217 -0.913 0 N-CA-C 109.956 -1.258 . . . . 25.0 109.956 -179.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 24.0 p 44.52 64.61 1.28 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.344 1.238 . . . . 25.0 114.344 178.656 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.3 mt -89.92 8.52 31.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.003 -0.544 . . . . 25.0 110.613 178.135 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt 63.44 178.02 0.16 Allowed 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 172.229 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 39.9 t -155.32 158.85 39.38 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 178.773 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.76 132.65 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 -178.103 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 47.2 mm -90.16 119.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.879 -1.526 . . . . 25.0 106.879 179.067 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.5 t -114.81 -1.78 13.12 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.471 -179.249 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 42.17 55.5 3.9 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 125.162 1.539 . . . . 25.0 114.863 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.97 29.44 3.81 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.336 178.175 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.87 137.21 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 -179.574 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 130.14 84.87 0.36 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.33 -1.108 . . . . 25.0 110.33 -174.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -72.62 151.24 42.42 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.67 124.71 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 25.0 110.219 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 30.7 p -140.01 98.47 3.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 178.694 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 30.2 m -95.1 20.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.797 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt -141.61 163.27 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 -177.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 25.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 25.0 111.957 178.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 25.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 25.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 25.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 25.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 25.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -67.76 -41.0 84.02 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 25.0 109.942 176.43 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.67 -15.07 59.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -178.182 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.15 -32.06 72.91 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 122.029 0.919 . . . . 25.0 108.956 171.664 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -79.71 -49.2 12.43 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.038 -0.983 . . . . 25.0 113.189 -173.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.6 -152.02 45.79 Favored Glycine 0 N--CA 1.461 0.364 0 N-CA-C 107.901 -2.08 . . . . 25.0 107.901 -168.699 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 87.54 8.69 73.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.075 -0.583 . . . . 25.0 112.456 176.285 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.76 52.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.902 0.858 . . . . 25.0 110.497 -178.631 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 51.85 45.71 27.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.978 -1.01 . . . . 25.0 112.204 -179.447 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 127.275 3.417 . . . . 25.0 110.647 -176.23 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 124.179 1.942 . . . . 25.0 113.374 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.56 -28.11 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.443 -175.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.58 -35.16 73.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.47 -178.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -75.65 -39.62 57.42 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 121.774 -0.579 . . . . 25.0 109.654 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 25.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 25.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 25.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 25.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 25.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 25.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 25.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 25.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 25.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 25.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 25.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 25.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 25.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 25.0 110.128 177.785 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 25.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 25.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 25.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 25.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 25.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 25.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 25.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -57.44 -43.67 84.1 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -68.73 -30.95 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.106 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -72.85 -47.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.492 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -69.16 -30.01 68.15 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.136 -0.977 . . . . 25.0 111.464 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.56 -44.33 87.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 121.529 0.681 . . . . 25.0 111.501 173.308 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.72 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.286 177.514 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -73.42 -31.1 63.66 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.98 -40.87 91.58 Favored 'General case' 0 C--O 1.247 0.945 0 C-N-CA 122.623 0.369 . . . . 25.0 110.649 176.38 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -67.99 -34.85 77.32 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.81 -25.03 64.47 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 175.756 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -36.88 38.41 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 173.539 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -48.27 62.74 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.13 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 52.68 29.14 6.98 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.73 1.212 . . . . 25.0 112.298 -176.617 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -132.89 14.51 4.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.427 1.108 . . . . 25.0 112.306 -178.623 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.88 164.93 27.14 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 100.789 -3.782 . . . . 25.0 100.789 -178.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 . . . . . 0 C--N 1.301 -1.532 0 CA-C-O 123.585 1.66 . . . . 25.0 114.311 -177.728 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 126.248 3.138 . . . . 25.0 114.222 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 19.44 6.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 110.483 -2.858 . . . . 25.0 113.276 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.3 mtp 53.84 63.59 2.14 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.495 0.664 . . . . 25.0 112.34 -178.155 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.1 151.71 9.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 122.254 1.025 . . . . 25.0 113.036 -178.213 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.85 158.7 34.4 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 114.464 -1.244 . . . . 25.0 108.14 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.06 146.25 43.83 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.645 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.06 143.25 55.59 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.953 -0.467 . . . . 25.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.4 m -121.48 168.88 11.21 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 -178.333 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 142.47 55.65 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 124.111 0.882 . . . . 25.0 109.766 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -102.46 -11.78 18.33 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.314 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.09 137.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 104.69 -2.337 . . . . 25.0 104.69 179.283 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.82 170.99 21.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 -176.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.6 ptp -150.5 164.67 35.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 104.902 -2.259 . . . . 25.0 104.902 173.279 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.71 99.7 0.17 Allowed Glycine 0 C--O 1.209 -1.411 0 C-N-CA 119.867 -1.158 . . . . 25.0 112.525 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -132.32 19.02 4.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.359 1.076 . . . . 25.0 109.572 -174.853 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.2 p 44.04 52.98 6.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.393 -1.73 . . . . 25.0 111.261 -176.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.23 123.36 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 114.845 -1.07 . . . . 25.0 113.101 -176.409 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.83 114.16 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 176.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.254 24.6 tt0 100.14 -60.76 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 174.301 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.24 139.4 29.19 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 114.316 -3.323 . . . . 25.0 114.634 -174.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.76 154.4 42.17 Favored Pre-proline 0 C--O 1.242 0.672 0 N-CA-C 107.17 -1.419 . . . . 25.0 107.17 175.037 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.94 153.74 74.58 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 116.883 -1.611 . . . . 25.0 111.55 178.395 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.54 HD23 ' H ' ' B' ' 123' ' ' LEU . 1.2 pt? -74.68 167.31 22.04 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.843 1.306 . . . . 25.0 109.236 -177.736 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.85 -42.05 94.11 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -171.851 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -58.99 152.44 58.51 Favored 'Trans proline' 0 C--O 1.205 -1.13 0 C-N-CA 114.506 -3.196 . . . . 25.0 113.959 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 18.7 p -136.34 169.07 18.26 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.3 m 58.52 42.12 21.43 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 124.75 1.282 . . . . 25.0 112.705 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -70.86 153.53 94.74 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 173.602 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -72.49 148.37 48.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 CA-C-O 121.599 0.583 . . . . 25.0 112.99 -176.306 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -123.46 40.13 3.79 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.09 0.948 . . . . 25.0 110.592 -177.369 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.5 m -69.46 153.36 43.64 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -177.143 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.07 177.44 39.82 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-O 117.599 -1.667 . . . . 25.0 109.305 177.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.63 143.47 18.96 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 119.864 1.832 . . . . 25.0 113.107 -179.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.9 155.38 30.37 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 117.322 -1.319 . . . . 25.0 114.112 177.723 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -111.68 154.19 16.88 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 -179.578 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -78.03 -33.61 50.97 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -173.378 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 51.21 62.34 2.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.839 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.99 146.43 50.4 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 114.411 0.525 . . . . 25.0 114.411 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.87 46.28 0.09 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.62 -0.8 . . . . 25.0 112.823 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.5 t -114.3 -149.31 0.44 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -178.229 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.9 tp 56.76 51.22 11.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.265 1.026 . . . . 25.0 111.517 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.96 122.88 35.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.694 0.759 . . . . 25.0 109.046 179.605 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.9 m -153.27 109.51 3.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.511 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.35 132.85 49.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.99 135.22 28.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -177.167 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 p -106.14 -66.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.751 0.786 . . . . 25.0 109.945 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 42.95 49.36 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.468 170.713 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 35.07 1.96 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 115.545 0.978 . . . . 25.0 115.545 -176.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.88 144.76 26.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.17 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.73 -76.91 1.33 Allowed Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.439 -1.464 . . . . 25.0 109.439 177.757 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.25 163.76 30.16 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 178.505 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.31 130.32 9.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 176.082 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 24.3 m -90.02 81.73 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.849 -0.532 . . . . 25.0 110.296 -178.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.37 26.25 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.812 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -176.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -139.0 159.69 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 25.0 112.206 -177.404 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 25.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 25.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 25.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 25.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 25.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 25.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.35 -26.27 61.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 175.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.76 -28.73 55.83 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.33 -21.89 66.54 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.929 1.347 . . . . 25.0 109.817 176.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -82.64 -1.73 51.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.961 -178.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 65.05 31.85 82.22 Favored Glycine 0 C--O 1.219 -0.788 0 O-C-N 124.225 0.953 . . . . 25.0 113.995 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -164.35 -24.85 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 119.67 2.628 . . . . 25.0 119.67 -178.076 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 65.7 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 116.513 2.042 . . . . 25.0 116.513 -178.716 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -105.34 86.85 2.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.233 1.013 . . . . 25.0 109.424 176.427 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 126.279 1.831 . . . . 25.0 114.446 -179.962 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.511 2.614 0 CA-C-O 123.07 1.414 . . . . 25.0 113.554 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -125.39 2.03 7.72 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 179.01 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -58.7 -29.57 66.74 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -173.422 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.25 -30.75 71.79 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 118.317 0.508 . . . . 25.0 110.792 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 25.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 25.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 25.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 25.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 25.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 25.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 25.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 25.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 25.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 25.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 25.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 25.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 25.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 25.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 25.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 25.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 25.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 178.12 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 25.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 25.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 25.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 25.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 25.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 25.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 25.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 25.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -58.44 -41.73 85.74 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -68.53 -33.51 74.24 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.835 -0.746 . . . . 25.0 111.383 179.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -74.33 -42.54 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.588 -0.695 . . . . 25.0 111.146 -178.213 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.81 -30.43 68.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.85 -42.67 80.98 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.22 90.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.371 0.605 . . . . 25.0 109.89 -178.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -64.56 -39.12 93.18 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.211 175.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.09 -39.09 86.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.035 0.445 . . . . 25.0 110.118 178.879 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -64.58 -37.11 86.45 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.386 -0.821 . . . . 25.0 109.088 177.648 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.42 -26.31 64.56 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 119.685 -0.198 . . . . 25.0 111.269 178.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.88 -24.99 55.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.688 0.756 . . . . 25.0 110.733 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.3 -57.73 2.74 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.208 -0.451 . . . . 25.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 45.44 30.88 0.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 -174.206 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -141.3 16.58 2.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.839 1.304 . . . . 25.0 110.606 -173.465 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -143.19 115.58 8.52 Favored 'General case' 0 C--O 1.202 -1.427 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 -175.706 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 123.682 1.705 . . . . 25.0 111.523 -179.338 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 CA-C-O 122.851 1.251 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 155.62 29.78 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 121.173 -1.193 . . . . 25.0 108.839 179.859 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.49 161.6 37.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 176.209 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.68 138.83 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.919 0.866 . . . . 25.0 110.38 -177.013 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.93 146.53 54.84 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.191 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.23 67.07 3.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.361 0.601 . . . . 25.0 109.893 176.663 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -74.69 89.57 2.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.924 0.89 . . . . 25.0 111.52 -176.501 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 86.6 p -146.2 169.55 18.54 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.694 -1.139 . . . . 25.0 108.97 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.58 144.34 49.24 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 178.241 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.49 69.55 1.23 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.019 0.372 . . . . 25.0 110.416 179.123 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 23.8 t -117.95 83.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 178.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.2 141.46 47.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.279 -2.119 . . . . 25.0 105.279 174.926 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.7 mtm -128.93 156.24 44.04 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.011 -2.959 . . . . 25.0 103.011 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.49 148.6 17.24 Favored Glycine 0 C--O 1.209 -1.467 0 N-CA-C 110.435 -1.066 . . . . 25.0 110.435 -176.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -74.44 -27.13 60.46 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.66 0.271 . . . . 25.0 111.285 -175.554 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 17.9 p 43.64 41.18 3.36 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.07 1.508 . . . . 25.0 115.07 177.591 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 45.2 t -68.77 128.43 32.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.775 -0.578 . . . . 25.0 109.795 -178.861 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.28 114.28 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.582 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.278 27.0 tt0 95.02 -55.75 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 119.37 3.1 . . . . 25.0 119.37 179.153 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.6 19.07 1.35 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 116.727 -1.715 . . . . 25.0 115.241 -175.742 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 144.82 91.8 Favored Pre-proline 0 C--O 1.219 -0.524 0 CA-C-O 121.408 0.623 . . . . 25.0 110.918 -175.173 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.73 147.14 62.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 114.841 -2.973 . . . . 25.0 113.608 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.2 mt -93.7 152.67 18.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 113.774 -1.557 . . . . 25.0 107.548 174.171 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.255 84.8 tttt 76.8 -94.47 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 116.715 -1.612 . . . . 25.0 109.642 -178.697 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.54 142.98 50.42 Favored 'Trans proline' 0 C--N 1.364 1.363 1 C-N-CA 107.952 -7.566 . . . . 25.0 111.131 172.705 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.1 p -98.63 105.98 18.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.076 -0.39 . . . . 25.0 111.641 -170.692 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.6 p 58.24 173.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 115.408 1.633 . . . . 25.0 115.408 177.882 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -128.84 75.48 80.04 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 178.547 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.39 151.18 22.74 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 N-CA-C 115.333 1.243 . . . . 25.0 115.333 -173.427 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 81.0 p -90.43 -3.87 57.39 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 175.8 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 17.1 m 64.48 -177.87 0.17 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.304 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.66 -178.16 30.99 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 118.625 -1.097 . . . . 25.0 111.058 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.92 146.4 59.07 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 CA-C-N 120.355 2.078 . . . . 25.0 113.406 -177.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -78.64 172.31 15.35 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 CA-C-O 121.403 0.501 . . . . 25.0 111.664 176.603 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.39 156.23 16.99 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 109.765 -1.334 . . . . 25.0 109.765 174.706 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -161.47 175.69 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 178.585 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -130.78 174.14 10.24 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 104.974 -2.232 . . . . 25.0 104.974 176.264 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -168.82 178.65 42.07 Favored Glycine 0 C--N 1.314 -0.675 0 C-N-CA 119.613 -1.28 . . . . 25.0 112.552 -178.23 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.11 177.54 54.17 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 112.227 -0.349 . . . . 25.0 112.227 179.656 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 44.8 t -128.07 104.5 7.81 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 121.097 0.475 . . . . 25.0 110.774 -177.102 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 45.11 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.939 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 66.0 mt -128.04 137.68 52.27 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -176.109 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 19.9 m -144.48 146.18 32.29 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.249 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.91 137.7 54.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -176.059 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.6 mm -69.39 120.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -178.373 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.7 t -113.52 -5.23 13.46 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 122.584 1.183 . . . . 25.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -87.8 34.66 0.72 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 113.945 -1.48 . . . . 25.0 110.355 -179.421 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -79.24 -18.52 74.06 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 119.993 -1.099 . . . . 25.0 114.154 -178.909 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.17 148.4 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -161.18 40.07 0.42 Allowed Glycine 0 C--O 1.215 -1.08 0 CA-C-O 121.509 0.505 . . . . 25.0 111.988 178.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.32 -45.31 88.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -171.333 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 25.3 tp 58.97 113.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 178.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 28.8 m -110.44 91.24 3.58 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 120.925 -1.109 . . . . 25.0 108.996 174.126 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.3 p -86.54 1.82 5.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.959 0 CA-C-O 122.082 0.944 . . . . 25.0 109.425 178.356 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.08 164.88 33.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -178.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 25.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 25.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 25.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 25.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 25.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 25.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 25.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 25.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 25.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.08 -39.8 86.89 Favored 'General case' 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 25.0 109.306 175.761 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.83 -24.08 62.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -179.374 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.92 -20.43 65.85 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.263 -0.273 . . . . 25.0 110.845 174.524 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -88.7 -7.8 55.67 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.483 0.659 . . . . 25.0 111.793 -175.822 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 70.59 -160.88 53.74 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 110.815 -0.914 . . . . 25.0 110.815 178.347 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.57 18.63 37.76 Favored Glycine 0 C--O 1.204 -1.721 0 CA-C-N 115.503 -0.349 . . . . 25.0 112.69 -177.362 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 11.0 t 51.23 75.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -119.76 92.17 3.72 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.447 -0.783 . . . . 25.0 110.506 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -178.125 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.503 2.207 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 50.43 50.45 18.76 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.27 1.428 . . . . 25.0 112.257 -178.081 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -46.37 -37.83 8.05 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -61.0 -31.96 71.55 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 25.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 25.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 25.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 25.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 25.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 25.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 25.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 25.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 25.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 25.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 25.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 25.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 25.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 25.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 25.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 25.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 25.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 25.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 25.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 25.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 25.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 25.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 25.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 25.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 25.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 25.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -61.87 -38.23 87.49 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -73.87 -31.2 63.03 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.894 -0.503 . . . . 25.0 112.031 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.67 -47.43 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.654 178.738 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.62 -34.39 78.1 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 178.663 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.46 -35.64 80.78 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.976 -0.557 . . . . 25.0 111.768 175.733 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.51 95.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 123.225 1.488 . . . . 25.0 109.528 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -68.64 -38.0 80.15 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.915 -1.039 . . . . 25.0 110.668 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.0 -37.55 88.02 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-O 121.285 0.564 . . . . 25.0 111.643 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.47 -35.78 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.51 -0.744 . . . . 25.0 110.279 178.006 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.43 -25.48 65.04 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 120.702 0.286 . . . . 25.0 111.198 177.342 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -40.05 32.84 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 121.761 0.791 . . . . 25.0 110.539 177.175 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.71 -47.17 22.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.429 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 46.7 34.01 2.34 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.326 -175.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -105.7 14.59 28.11 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -175.33 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 41.82 57.25 3.19 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.647 1.213 . . . . 25.0 114.187 -179.005 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 123.564 1.649 . . . . 25.0 111.366 176.421 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 CA-C-O 122.906 1.281 . . . . 25.0 114.839 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 151.99 51.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.707 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -139.05 155.66 47.78 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 105.282 -2.118 . . . . 25.0 105.282 176.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.2 155.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 -178.158 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -131.46 135.96 47.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 -179.176 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.11 163.07 40.09 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 107.354 -1.351 . . . . 25.0 107.354 178.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.69 112.44 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 177.411 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 80.7 p -124.73 151.71 44.72 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 123.829 0.706 . . . . 25.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.91 65.64 1.49 Allowed 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -179.141 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.52 99.8 3.26 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 122.9 0.48 . . . . 25.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 m -91.63 34.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 122.042 0.925 . . . . 25.0 110.054 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -137.24 36.99 2.52 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 26.6 mmt -129.36 33.94 4.45 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.265 0.555 . . . . 25.0 110.846 -176.528 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.63 -1.5 65.95 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.733 -0.667 . . . . 25.0 114.246 -177.251 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.12 32.22 1.18 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.923 0.868 . . . . 25.0 111.633 -174.008 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -86.67 27.3 0.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.413 0.625 . . . . 25.0 111.061 -178.882 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 37.4 t -76.12 117.02 20.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -172.348 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.81 127.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 172.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -123.68 9.9 0.06 OUTLIER Pre-proline 0 CA--C 1.571 1.766 0 N-CA-C 118.022 2.601 . . . . 25.0 118.022 176.486 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -80.62 59.22 7.37 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 114.428 -3.248 . . . . 25.0 112.753 173.847 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.34 144.47 98.47 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 115.327 -0.851 . . . . 25.0 112.034 -175.427 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.19 143.94 61.0 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 117.391 -1.273 . . . . 25.0 113.077 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.2 mt -88.75 137.79 32.0 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.034 -1.041 . . . . 25.0 110.812 -179.04 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.7 tttp 103.75 -56.57 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.656 2.382 . . . . 25.0 114.383 -177.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.89 146.68 33.45 Favored 'Trans proline' 0 C--N 1.362 1.25 1 C-N-CA 113.054 -4.164 . . . . 25.0 111.629 176.344 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.18 6.62 6.47 Favored 'General case' 0 C--O 1.201 -1.476 0 CA-C-O 121.719 0.771 . . . . 25.0 112.324 -175.349 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.0 t 60.74 37.48 18.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 25.0 114.833 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -114.26 91.94 25.47 Favored Pre-proline 0 C--O 1.249 1.028 0 CA-C-O 121.766 0.793 . . . . 25.0 112.056 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.94 124.26 9.01 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.55 -2.5 . . . . 25.0 112.822 175.402 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 13.3 t -118.5 9.67 12.39 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.573 0.701 . . . . 25.0 112.192 -175.406 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -75.75 154.76 36.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.268 -0.895 . . . . 25.0 111.249 179.833 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.43 177.44 37.74 Favored Glycine 0 C--O 1.241 0.58 0 CA-C-O 119.128 -0.818 . . . . 25.0 112.107 177.374 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -76.95 158.39 34.54 Favored 'Trans proline' 0 C--O 1.24 0.585 0 CA-C-N 118.794 1.297 . . . . 25.0 113.368 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.7 161.36 36.81 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 116.886 -1.609 . . . . 25.0 112.882 178.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.45 -171.96 23.0 Favored Glycine 0 N--CA 1.466 0.668 0 C-N-CA 120.012 -1.089 . . . . 25.0 111.494 178.25 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.95 141.62 28.43 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 178.721 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -76.28 156.37 33.52 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 123.779 0.675 . . . . 25.0 109.658 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.88 -173.49 13.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 105.989 -2.845 . . . . 25.0 105.989 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.17 -173.43 45.22 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 119.183 1.492 . . . . 25.0 112.919 -179.204 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.9 m -110.73 88.62 2.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.698 0.799 . . . . 25.0 111.3 -179.555 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.94 56.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.375 0.67 . . . . 25.0 111.236 -177.387 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.77 162.32 35.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.475 -0.784 . . . . 25.0 111.667 -177.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 32.5 t -154.73 161.01 41.7 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 102.958 -2.979 . . . . 25.0 102.958 176.606 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 8.2 p -124.64 152.28 30.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 -178.163 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.78 124.85 40.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.7 t -119.89 4.74 10.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 49.18 29.13 2.45 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 116.615 2.08 . . . . 25.0 116.615 179.359 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.02 47.61 1.04 Allowed Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.786 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 31.9 t -130.29 116.95 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.24 0.543 . . . . 25.0 112.089 -174.462 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.6 51.62 0.24 Allowed Glycine 0 C--O 1.238 0.391 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.281 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -123.79 164.26 19.54 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -175.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 4.8 tt -126.67 132.55 51.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.721 1.263 . . . . 25.0 110.237 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 153' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 155' ' ' ILE . 33.9 m 52.3 60.41 3.84 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 115.491 1.663 . . . . 25.0 115.491 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.44 25.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 122.41 1.1 . . . . 25.0 112.756 175.043 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 155' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' B' ' 153' ' ' SER . 35.0 pt -140.26 165.04 21.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 179.753 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 25.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 25.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 25.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 25.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.64 -42.66 70.57 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 25.0 109.387 175.287 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.96 -16.32 60.64 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.775 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.57 -16.13 64.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.939 -1.101 . . . . 25.0 108.622 172.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -100.13 4.16 44.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.65 -153.28 52.5 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 107.044 -2.422 . . . . 25.0 107.044 -174.186 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.86 5.86 84.3 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.218 -0.768 . . . . 25.0 114.523 -177.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.3 -16.65 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.557 1.179 . . . . 25.0 112.07 -175.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -134.94 80.21 1.83 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.046 -0.979 . . . . 25.0 109.313 -177.609 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.211 -0.937 0 C-N-CA 125.216 1.407 . . . . 25.0 113.055 -178.126 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 C--O 1.203 -1.353 0 N-CA-C 115.032 1.493 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 55.45 28.13 11.17 Favored 'General case' 0 C--O 1.191 -1.994 0 C-N-CA 126.332 1.853 . . . . 25.0 111.038 -176.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -56.63 -19.19 14.96 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.707 1.373 . . . . 25.0 114.707 -176.19 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.44 -29.22 66.87 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 25.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 25.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 25.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 25.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 25.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 25.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 25.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 25.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 25.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 25.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 25.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 25.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 25.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 25.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 25.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.06 178.726 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 25.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 25.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 25.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 25.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 25.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 25.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 25.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 25.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 25.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 25.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.75 -41.99 92.22 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.96 -30.0 69.18 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 118.369 0.531 . . . . 25.0 112.01 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -70.39 -49.47 53.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 177.039 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -72.2 -28.96 63.53 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.909 -1.119 . . . . 25.0 110.238 -177.588 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.53 -44.69 90.06 Favored 'General case' 0 C--O 1.19 -2.058 0 CA-C-N 115.494 -0.775 . . . . 25.0 109.253 174.353 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.25 78.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 121.114 -0.991 . . . . 25.0 111.908 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.26 -31.12 67.14 Favored 'General case' 0 C--O 1.208 -1.093 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.657 177.119 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -69.47 -36.4 76.53 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.621 -0.674 . . . . 25.0 110.861 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.83 -39.03 92.92 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.806 -1.183 . . . . 25.0 109.163 175.305 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.57 65.74 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.253 178.491 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.24 -30.26 25.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 122.356 -0.215 . . . . 25.0 110.556 176.841 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -54.27 6.62 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -177.131 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 42.38 41.15 2.1 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -131.76 25.03 4.7 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.342 1.979 . . . . 25.0 116.342 -177.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 60.86 42.54 13.0 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 25.0 110.856 179.658 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.568 1.652 . . . . 25.0 110.853 177.223 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.954 2.419 . . . . 25.0 113.621 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.04 13.17 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 177.829 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.31 141.37 55.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.139 -0.482 . . . . 25.0 109.892 177.084 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.74 157.65 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 -178.699 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.85 142.58 30.19 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.003 -0.998 . . . . 25.0 110.5 178.656 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.65 86.49 2.19 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 178.2 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.57 154.67 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.136 -0.938 . . . . 25.0 108.972 -178.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 p -147.3 161.86 40.12 Favored 'General case' 0 C--N 1.313 -1.009 0 O-C-N 123.685 0.616 . . . . 25.0 110.396 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.92 131.88 35.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.464 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.58 139.15 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 175.528 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.77 99.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 104.771 -2.307 . . . . 25.0 104.771 174.034 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.44 121.12 42.16 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.967 -1.494 . . . . 25.0 106.967 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mtm 66.09 168.19 0.21 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.144 1.527 . . . . 25.0 111.677 -178.377 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.37 7.37 86.98 Favored Glycine 0 CA--C 1.527 0.819 0 O-C-N 121.143 -0.973 . . . . 25.0 112.321 -177.446 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -105.53 14.21 28.91 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 125.463 1.505 . . . . 25.0 111.191 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 27.4 p -81.86 50.06 1.47 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.264 -177.607 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.61 134.02 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.38 -1.282 . . . . 25.0 110.101 -177.582 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.91 145.96 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -178.513 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 1.4 tt0 79.36 -8.02 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.439 0 N-CA-C 120.739 3.607 . . . . 25.0 120.739 175.292 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -69.16 139.89 43.48 Favored 'Trans proline' 0 C--N 1.361 1.21 1 C-N-CA 110.781 -5.679 . . . . 25.0 111.193 174.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.35 132.99 45.69 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -177.173 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.55 -1.78 11.17 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-O 121.798 0.666 . . . . 25.0 113.417 177.201 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 mt -111.47 171.47 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 -178.881 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 72.47 -98.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 105.145 -2.169 . . . . 25.0 105.145 -173.719 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -68.63 128.95 17.9 Favored 'Trans proline' 0 C--N 1.369 1.607 1 C-N-CA 105.753 -9.031 . . . . 25.0 111.222 165.547 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 33.8 p -77.65 130.84 37.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.562 -171.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -86.19 109.71 19.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.192 0.52 . . . . 25.0 109.664 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -144.5 109.17 4.86 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 105.186 -2.153 . . . . 25.0 105.186 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -76.95 144.23 23.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 114.85 -2.967 . . . . 25.0 111.593 -175.88 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -127.96 17.15 6.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.752 0.787 . . . . 25.0 110.214 179.472 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 36.9 p -90.76 168.04 12.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -151.65 172.82 31.05 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.755 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.97 165.9 30.95 Favored 'Trans proline' 0 CA--C 1.553 1.447 0 C-N-CA 124.824 3.682 . . . . 25.0 111.93 -179.285 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.88 167.58 26.92 Favored 'Trans proline' 0 C--O 1.24 0.591 0 N-CA-C 114.351 0.866 . . . . 25.0 114.351 -177.636 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.92 -164.62 14.19 Favored Glycine 0 C--O 1.237 0.316 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 17.7 m120 71.5 175.8 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.572 1.949 . . . . 25.0 109.09 -177.547 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -156.71 175.13 14.46 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 -177.797 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 172.96 -179.99 44.03 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 111.27 -0.732 . . . . 25.0 111.27 175.926 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.26 167.59 11.0 Favored Glycine 0 CA--C 1.505 -0.578 0 O-C-N 121.467 -1.019 . . . . 25.0 111.008 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 38.7 m -149.8 104.18 3.3 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.18 40.45 2.84 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.447 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.84 155.01 19.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.744 -0.835 . . . . 25.0 108.744 -172.339 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 49.0 p -146.97 144.57 29.29 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.21 135.25 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.88 136.04 26.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.74 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 6.4 t -157.74 123.29 4.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 176.418 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.17 45.62 1.33 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 -175.216 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.95 77.64 Favored Glycine 0 C--N 1.317 -0.496 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -175.4 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.94 140.64 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 178.638 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.95 45.18 0.17 Allowed Glycine 0 N--CA 1.468 0.803 0 N-CA-C 114.092 0.397 . . . . 25.0 114.092 179.482 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.57 140.61 58.89 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.563 0.697 . . . . 25.0 109.401 178.912 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.6 tp -148.82 136.64 20.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.822 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.5 m -79.09 79.27 5.5 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.89 0.852 . . . . 25.0 112.051 -178.33 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.03 15.78 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.643 179.671 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt -134.03 163.94 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 25.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 25.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 25.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 25.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.15 -39.75 82.55 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 174.132 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -22.93 58.34 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 113.761 1.022 . . . . 25.0 113.761 -178.18 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.0 -33.21 71.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 172.813 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -80.48 -5.55 56.78 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.704 -175.355 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 76.9 -57.49 3.52 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 116.354 -0.384 . . . . 25.0 113.882 -177.208 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 74.34 22.51 77.45 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 120.503 -0.856 . . . . 25.0 112.119 179.696 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.87 23.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 115.963 1.838 . . . . 25.0 115.963 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.21 55.73 7.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 177.484 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.202 -1.413 0 CA-C-O 124.66 2.171 . . . . 25.0 110.756 175.908 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.7 mtp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 123.147 1.451 . . . . 25.0 112.632 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.92 -23.96 67.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.722 1.209 . . . . 25.0 112.408 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -64.65 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.148 -0.345 . . . . 25.0 110.488 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.76 -32.15 73.24 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.926 0.87 . . . . 25.0 111.672 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 25.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 25.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 25.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 25.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 25.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 25.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 25.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 25.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 25.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 25.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 25.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 25.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 25.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 25.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 25.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 25.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 25.0 110.175 -179.156 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 25.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 25.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 25.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 25.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 25.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 25.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.23 -42.74 99.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -64.4 -30.42 71.46 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 177.501 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.23 -46.17 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.344 0.974 . . . . 25.0 111.444 -179.475 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.332 0.586 . . . . 25.0 109.879 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.21 -43.81 85.67 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.01 174.349 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.77 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 118.607 0.64 . . . . 25.0 110.837 -178.88 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.67 -35.17 65.19 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.161 -179.567 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -45.47 89.48 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 175.479 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.93 -33.19 75.26 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 -175.718 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.814 -0.175 . . . . 25.0 111.427 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.18 -27.15 53.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.313 0.578 . . . . 25.0 110.017 177.513 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.47 -59.81 1.92 Allowed 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.858 -0.527 . . . . 25.0 112.317 -175.736 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 50.22 27.62 2.72 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.61 1.564 . . . . 25.0 112.266 -174.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.04 90.96 3.18 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.482 0.713 . . . . 25.0 110.228 -172.61 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 54.52 79.57 0.14 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.811 1.767 . . . . 25.0 113.04 179.724 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.979 2.799 . . . . 25.0 112.291 -179.788 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.81 0 CA-C-O 122.691 1.162 . . . . 25.0 113.717 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.98 -39.66 1.2 Allowed 'General case' 0 C--N 1.347 0.459 0 CA-C-N 113.101 -1.549 . . . . 25.0 111.808 179.442 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.8 tpp 63.48 -169.27 0.19 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.991 0.807 . . . . 25.0 111.541 -176.172 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.13 141.06 21.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 177.229 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -126.62 115.6 19.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 177.535 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.61 129.61 14.42 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 179.168 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -151.72 27.2 0.64 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.424 1.107 . . . . 25.0 112.062 -177.82 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 59.6 p -79.24 148.89 32.03 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 177.436 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.6 tp -76.18 4.93 7.65 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.816 -0.553 . . . . 25.0 112.231 -177.841 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.37 51.75 Favored 'General case' 0 C--O 1.21 -1.011 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 178.755 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 t 34.62 59.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 116.222 1.934 . . . . 25.0 116.222 178.062 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 51.88 65.56 1.46 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 166.27 20.29 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.545 177.45 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.0 -89.95 1.62 Allowed Glycine 0 N--CA 1.471 0.985 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -82.94 44.45 0.93 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.794 0.33 . . . . 25.0 111.764 -176.399 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.7 p -96.13 47.4 1.09 Allowed 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 121.996 -0.44 . . . . 25.0 111.278 -177.89 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.5 136.07 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 105.328 -2.101 . . . . 25.0 105.328 177.753 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -118.28 78.35 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -173.383 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 90.83 -33.33 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.249 0 N-CA-C 120.574 3.546 . . . . 25.0 120.574 171.333 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.19 139.94 33.26 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 109.942 -6.239 . . . . 25.0 113.897 -177.276 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 31.04 72.66 0.52 Allowed Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 125.158 1.383 . . . . 25.0 112.986 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -63.74 139.22 67.91 Favored 'Trans proline' 0 C--N 1.353 0.792 0 N-CA-C 115.13 1.165 . . . . 25.0 115.13 -175.063 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.78 170.26 22.47 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 178.841 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 67.2 -102.89 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.612 0 N-CA-C 105.588 -2.005 . . . . 25.0 105.588 -173.405 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.69 141.65 38.16 Favored 'Trans proline' 0 C--N 1.367 1.528 1 C-N-CA 107.795 -7.67 . . . . 25.0 111.205 169.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 5.46 1.28 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.42 1.267 . . . . 25.0 114.42 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 51.9 p -88.51 141.51 28.47 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.156 -0.965 . . . . 25.0 108.474 175.583 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.48 159.34 83.72 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 123.308 0.38 . . . . 25.0 109.977 178.534 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.53 90.65 1.19 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 O-C-N 122.741 0.864 . . . . 25.0 113.496 177.648 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.9 t -139.07 23.59 2.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.074 -0.967 . . . . 25.0 109.805 -177.649 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -147.68 163.79 35.57 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 179.104 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 177.87 34.96 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-O 119.167 -0.796 . . . . 25.0 112.267 -179.403 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.74 163.16 31.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 CA-C-N 119.262 1.531 . . . . 25.0 112.261 -177.46 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.03 175.33 11.0 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 117.536 -1.176 . . . . 25.0 112.677 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -149.15 162.0 28.87 Favored Glycine 0 CA--C 1.503 -0.659 0 N-CA-C 107.586 -2.205 . . . . 25.0 107.586 174.755 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -97.59 -34.98 10.76 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.002 0.901 . . . . 25.0 110.603 -178.671 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.4 -28.95 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.78 2.511 . . . . 25.0 117.78 176.395 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.64 54.88 Favored Glycine 0 C--O 1.222 -0.626 0 N-CA-C 115.324 0.889 . . . . 25.0 115.324 -177.074 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.06 167.83 38.8 Favored Glycine 0 C--O 1.226 -0.396 0 N-CA-C 108.119 -1.992 . . . . 25.0 108.119 -177.009 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 p -138.47 58.92 1.65 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 122.494 1.14 . . . . 25.0 109.065 -174.745 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.59 47.58 0.73 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.555 -1.202 . . . . 25.0 113.21 -178.555 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -135.24 162.72 31.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 25.0 109.853 -174.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 35.7 t -145.6 165.44 28.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 175.433 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.92 129.92 36.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 176.225 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -78.55 118.14 25.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 178.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.8 t -106.28 -14.88 14.99 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 123.897 1.808 . . . . 25.0 111.107 -179.081 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -90.26 31.05 1.03 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.901 -178.571 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.45 34.56 3.09 Favored Glycine 0 N--CA 1.475 1.295 0 CA-C-O 119.724 -0.487 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.8 p -141.34 154.42 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 104.715 -2.328 . . . . 25.0 104.715 -178.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.31 52.01 2.62 Favored Glycine 0 C--O 1.226 -0.38 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 -175.889 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.94 160.53 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.587 1.328 . . . . 25.0 114.587 -176.352 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 23.4 tp -146.06 130.99 18.16 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.975 -0.557 . . . . 25.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 79.6 8.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 176.875 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.78 12.15 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.525 0.73 . . . . 25.0 112.391 -173.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.9 165.57 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -178.136 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 25.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 25.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 25.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 25.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 25.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 25.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -64.03 -41.55 97.38 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 25.0 109.708 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.45 -31.76 48.16 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -174.856 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.37 -24.02 63.83 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.914 -0.773 . . . . 25.0 108.914 -179.422 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -69.97 -35.45 74.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.342 0.591 . . . . 25.0 112.592 175.416 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 68.89 -150.82 50.89 Favored Glycine 0 C--O 1.218 -0.855 0 C-N-CA 120.399 -0.905 . . . . 25.0 112.33 -172.993 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.14 -62.02 0.67 Allowed Glycine 0 C--O 1.205 -1.717 0 N-CA-C 114.852 0.701 . . . . 25.0 114.852 177.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.56 4.36 4.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 117.672 0.736 . . . . 25.0 112.064 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.92 107.23 12.03 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 177.103 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 124.44 2.067 . . . . 25.0 113.383 -176.506 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 C--O 1.206 -1.19 0 CA-C-O 123.976 1.845 . . . . 25.0 113.934 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -147.28 136.18 22.19 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 120.327 -1.483 . . . . 25.0 107.802 175.171 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -59.88 -38.67 82.88 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 179.055 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.0 -34.19 75.73 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 122.075 -0.39 . . . . 25.0 111.361 177.786 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 25.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 25.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 25.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 25.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 25.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 25.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 25.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 25.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 25.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 25.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 25.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 25.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 25.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 25.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 25.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 25.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 25.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 25.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 25.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 25.0 110.477 178.745 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 25.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 25.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 25.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 25.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 25.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 25.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 25.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 25.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.2 -45.53 83.69 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -68.02 -34.16 75.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 120.918 -0.313 . . . . 25.0 111.641 -177.724 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.76 -53.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 121.632 -0.667 . . . . 25.0 109.946 178.912 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -70.42 -27.38 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.937 -0.305 . . . . 25.0 110.723 -177.862 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.49 -45.64 82.83 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 174.372 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.75 96.47 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 178.57 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -64.97 -38.83 92.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.847 0.294 . . . . 25.0 110.367 177.139 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -64.56 -41.54 96.24 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.724 0.773 . . . . 25.0 111.248 179.288 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -69.59 -35.44 75.32 Favored 'General case' 0 C--O 1.223 -0.301 0 O-C-N 121.228 -0.92 . . . . 25.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.87 85.0 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.353 -0.385 . . . . 25.0 110.526 175.871 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.99 -23.12 55.25 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.99 -0.444 . . . . 25.0 111.238 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.82 -61.09 1.77 Allowed 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 119.236 -0.411 . . . . 25.0 112.023 -177.249 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 46.27 29.66 0.88 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.579 0.751 . . . . 25.0 111.629 -176.674 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -115.15 46.49 1.44 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.847 1.308 . . . . 25.0 109.024 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -116.92 77.24 1.1 Allowed 'General case' 0 C--O 1.207 -1.173 0 CA-C-N 114.168 -1.378 . . . . 25.0 108.038 -177.468 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.84 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.386 0 CA-C-O 125.661 2.812 . . . . 25.0 114.142 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.5 154.61 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 112.821 -1.689 . . . . 25.0 110.841 -179.147 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.0 ttt -135.81 142.28 44.84 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.62 -0.882 . . . . 25.0 108.62 176.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 157.84 2.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-O 121.623 0.725 . . . . 25.0 109.901 -178.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.7 152.84 49.67 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 179.291 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.26 1.48 Allowed 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.512 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -75.18 166.24 23.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 177.546 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 56.4 p -137.79 155.52 48.94 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 174.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.3 116.3 6.86 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.77 95.82 1.81 Allowed 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.245 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.64 95.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.801 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.23 82.53 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 -177.871 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 6.8 ttm 67.24 179.17 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.476 1.11 . . . . 25.0 109.526 -170.482 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.78 -175.44 32.66 Favored Glycine 0 C--N 1.332 0.317 0 N-CA-C 107.747 -2.141 . . . . 25.0 107.747 -169.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -121.58 -59.24 1.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 40.2 0.94 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.342 1.068 . . . . 25.0 112.709 -174.518 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.76 102.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.556 -0.715 . . . . 25.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -140.38 128.03 23.95 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-O 119.189 -0.434 . . . . 25.0 111.651 -176.256 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.281 19.9 tt0 103.89 -51.88 0.0 OUTLIER Pre-proline 0 N--CA 1.5 2.074 1 N-CA-C 121.994 4.072 . . . . 25.0 121.994 166.731 . . . . . . . . 3 2 . 1 . 043 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -62.56 99.37 0.21 Allowed 'Trans proline' 0 CA--C 1.554 1.501 0 N-CA-C 119.125 2.702 . . . . 25.0 119.125 -173.746 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.37 130.22 2.15 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 115.514 -0.766 . . . . 25.0 109.491 171.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.32 129.83 12.41 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 115.75 -2.366 . . . . 25.0 111.079 175.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -158.48 170.21 22.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -174.467 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tptp 100.54 -46.94 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.627 0 N-CA-C 120.489 3.514 . . . . 25.0 120.489 171.747 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.97 116.43 4.31 Favored 'Trans proline' 0 C--O 1.246 0.885 1 C-N-CA 112.834 -4.311 . . . . 25.0 112.515 -179.138 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -150.64 14.73 0.76 Allowed 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.319 1.057 . . . . 25.0 109.447 -172.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.7 p -170.86 98.22 0.22 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -176.631 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -123.48 154.28 66.08 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 176.555 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.99 144.91 38.97 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 116.857 -1.629 . . . . 25.0 113.555 -178.341 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.4 t -107.01 -6.58 17.38 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 2.4 t 60.31 -170.35 0.14 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.583 1.153 . . . . 25.0 113.469 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.2 176.88 47.81 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 118.863 -0.965 . . . . 25.0 113.393 -178.647 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.57 159.21 22.2 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.626 2.884 . . . . 25.0 114.455 -176.471 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -73.74 156.89 48.57 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 118.022 -0.852 . . . . 25.0 112.988 175.809 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -123.85 -142.41 6.02 Favored Glycine 0 C--O 1.25 1.121 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.246 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 63.6 t30 76.94 148.0 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.825 1.65 . . . . 25.0 112.177 176.468 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -155.32 155.86 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 -177.885 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.34 -171.82 43.71 Favored Glycine 0 C--O 1.246 0.87 0 N-CA-C 110.184 -1.167 . . . . 25.0 110.184 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.14 119.27 4.59 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 122.489 1.049 . . . . 25.0 111.323 179.198 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.9 p -153.22 88.31 1.3 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.347 0.594 . . . . 25.0 110.486 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 41.9 tp -140.24 81.41 1.81 Allowed 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 179.314 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.9 147.82 49.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.95 -0.469 . . . . 25.0 110.909 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -159.3 155.1 26.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 -178.402 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.9 t -137.95 139.67 42.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 178.755 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 38.0 mm -106.63 126.62 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.296 -0.859 . . . . 25.0 109.411 -176.442 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -120.26 0.59 10.66 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.542 0.527 . . . . 25.0 111.336 178.101 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 45.31 43.2 8.07 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.227 1.566 . . . . 25.0 115.227 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.75 35.41 3.64 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 121.672 -0.642 . . . . 25.0 113.102 177.316 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.3 p -148.89 141.84 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 117.779 0.79 . . . . 25.0 109.057 -176.176 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -109.04 -61.72 0.53 Allowed Glycine 0 C--N 1.306 -1.087 0 O-C-N 121.849 -0.532 . . . . 25.0 112.801 -177.727 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.44 165.99 11.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.755 -0.85 . . . . 25.0 111.35 -177.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -174.3 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.245 -0.889 . . . . 25.0 108.763 175.138 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p 48.2 54.35 10.38 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 177.912 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.6 m -71.82 8.79 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.777 0 N-CA-C 115.749 1.759 . . . . 25.0 115.749 178.307 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.26 171.62 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 -177.452 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 25.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 25.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 25.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 25.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 25.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 25.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 25.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -64.58 -39.97 94.7 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 25.0 111.543 177.266 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.32 -24.89 61.38 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 124.019 0.824 . . . . 25.0 113.145 -176.986 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.78 -11.96 60.95 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.11 0.957 . . . . 25.0 112.37 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -82.86 -19.88 36.65 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -174.753 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.25 -155.51 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -172.847 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -172.94 59.85 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.334 -0.936 . . . . 25.0 114.633 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.77 12.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 117.834 0.817 . . . . 25.0 110.557 -175.415 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.82 71.9 5.31 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 122.34 1.067 . . . . 25.0 109.421 175.081 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.206 -1.221 0 CA-C-O 123.67 1.7 . . . . 25.0 115.095 -177.611 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 125.835 2.731 . . . . 25.0 114.159 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -122.36 -14.6 7.83 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.93 -1.731 . . . . 25.0 112.029 -173.665 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -61.18 -37.21 82.13 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 115.064 -0.971 . . . . 25.0 112.296 -172.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.99 -32.26 72.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.288 -1.508 . . . . 25.0 110.447 -179.867 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 25.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 25.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 25.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 25.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 25.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 25.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 25.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 25.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 25.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 25.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 25.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 25.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 25.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 25.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 25.0 111.612 178.15 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 25.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 25.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 25.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 25.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 25.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 25.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 25.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 25.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 25.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 25.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 25.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.81 -42.0 92.5 Favored 'General case' 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -73.28 -29.95 63.09 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 121.999 -0.438 . . . . 25.0 111.404 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.6 t -71.61 -47.29 58.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 C-N-CA 119.442 -0.903 . . . . 25.0 110.286 176.024 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.8 -32.34 73.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.444 -0.902 . . . . 25.0 109.942 179.321 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.47 -38.51 90.0 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.087 176.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.64 96.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.935 0.874 . . . . 25.0 111.905 -178.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.46 -42.38 83.13 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 121.497 -0.752 . . . . 25.0 110.171 178.174 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -37.12 86.45 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 176.257 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 HE22 ' HB2' ' A' ' 69' ' ' GLN . 12.3 mm-40 -64.3 -37.61 88.1 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.074 -1.016 . . . . 25.0 111.567 176.649 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.54 -26.65 68.8 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.669 -1.15 . . . . 25.0 111.022 179.179 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.76 30.09 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.676 177.597 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.51 -54.3 5.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.214 0.461 . . . . 25.0 111.534 179.392 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 47.39 31.31 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.942 1.297 . . . . 25.0 114.18 -173.81 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -158.45 23.92 0.24 Allowed 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.349 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -139.0 170.33 16.17 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 176.864 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' HB2' HE22 ' A' ' 62' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 125.721 2.677 . . . . 25.0 114.092 178.415 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.638 0 CA-C-O 122.303 0.946 . . . . 25.0 114.969 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.2 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.767 -1.431 . . . . 25.0 114.181 -175.504 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 74.6 mtm 42.76 62.12 1.86 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 179.236 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 m -112.93 153.86 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 124.235 1.014 . . . . 25.0 108.79 179.404 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -117.56 18.68 14.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.615 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.07 143.25 31.78 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.224 0.535 . . . . 25.0 109.575 175.332 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.66 43.27 3.16 Favored 'General case' 0 C--O 1.26 1.634 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 -177.202 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.7 m -66.75 146.34 54.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.591 -179.864 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.71 104.0 13.62 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.655 0.782 . . . . 25.0 109.159 -177.846 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.03 111.05 6.59 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.765 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.69 26.04 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 123.799 1.762 . . . . 25.0 109.499 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.86 168.98 25.37 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.391 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 69.9 mtm -106.68 7.27 30.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 176.603 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.73 177.93 39.55 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-O 118.496 -1.169 . . . . 25.0 110.825 -178.19 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t0 48.26 48.71 18.56 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 118.101 0.95 . . . . 25.0 111.459 -175.149 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.1 p -79.51 26.11 0.31 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.66 -178.27 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.59 132.0 33.22 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 N-CA-C 103.556 -2.757 . . . . 25.0 103.556 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.41 44.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 122.889 1.328 . . . . 25.0 107.941 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.55 -92.33 0.0 OUTLIER Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 113.09 -1.868 . . . . 25.0 110.142 172.421 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -84.86 91.84 0.74 Allowed 'Trans proline' 0 C--N 1.374 1.92 1 C-N-CA 111.597 -5.135 . . . . 25.0 111.99 174.311 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.11 153.3 52.92 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 179.355 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.02 151.6 62.0 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 116.273 -2.018 . . . . 25.0 109.539 170.787 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.01 159.84 36.82 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.247 0.546 . . . . 25.0 110.619 -178.934 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 73.56 -96.78 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 -170.386 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -71.16 130.25 17.34 Favored 'Trans proline' 0 C--N 1.369 1.643 1 C-N-CA 108.037 -7.509 . . . . 25.0 111.281 167.944 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.2 168.8 18.9 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.821 0.701 . . . . 25.0 111.389 -177.555 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 7.0 p -74.77 148.63 40.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.722 -1.236 . . . . 25.0 111.546 -175.452 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -142.79 152.66 59.8 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.809 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -67.56 149.96 79.83 Favored 'Trans proline' 0 C--O 1.21 -0.902 0 C-N-CA 117.982 -0.878 . . . . 25.0 111.948 176.799 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 75.1 p -68.47 -24.76 64.73 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.064 -177.072 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 m 52.14 -162.29 0.09 Allowed 'General case' 0 CA--C 1.583 2.227 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 174.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 177.86 -167.92 39.05 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-O 117.446 -1.752 . . . . 25.0 109.39 -170.52 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.67 130.1 24.0 Favored 'Trans proline' 0 CA--C 1.564 2.002 0 CA-C-N 120.117 1.959 . . . . 25.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -88.85 4.0 5.54 Favored 'Trans proline' 0 C--O 1.206 -1.11 0 N-CA-C 116.154 1.559 . . . . 25.0 116.154 -170.005 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.58 85.71 0.52 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 122.71 1.172 . . . . 25.0 111.286 -174.379 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.8 p30 -68.35 -20.28 64.71 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.407 -1.054 . . . . 25.0 112.137 179.805 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 56.78 -154.85 0.33 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.991 1.316 . . . . 25.0 112.427 176.911 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -179.48 173.22 45.13 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.544 -1.022 . . . . 25.0 110.544 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.64 41.67 0.26 Allowed Glycine 0 C--O 1.207 -1.552 0 C-N-CA 119.147 -1.501 . . . . 25.0 113.898 -176.817 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.2 t -130.04 63.18 1.55 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.11 -1.229 . . . . 25.0 108.469 -173.172 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -116.37 49.5 1.13 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.41 -0.813 . . . . 25.0 109.678 -176.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.56 151.99 47.17 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.274 1.035 . . . . 25.0 111.166 -176.483 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 20.3 p -156.0 145.36 20.81 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 177.592 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 44.7 t -137.54 130.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.44 126.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 105.615 -1.994 . . . . 25.0 105.615 178.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.4 p -135.16 72.44 1.45 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.656 1.217 . . . . 25.0 111.522 178.957 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -126.4 32.18 5.24 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.165 -1.38 . . . . 25.0 110.538 -178.668 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.91 -10.74 48.61 Favored Glycine 0 C--O 1.194 -2.347 0 C-N-CA 119.055 -1.545 . . . . 25.0 114.41 -176.714 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -126.65 128.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 120.589 -1.536 . . . . 25.0 109.597 -174.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.27 56.82 0.05 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 C-N-CA 120.39 -0.91 . . . . 25.0 112.936 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.48 -46.74 81.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.369 1.084 . . . . 25.0 111.181 -171.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -131.23 -76.99 0.52 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.723 0.639 . . . . 25.0 109.82 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 44.1 m -135.45 83.73 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -174.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.5 p -81.34 0.03 4.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 C-N-CA 124.161 0.984 . . . . 25.0 109.071 178.562 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt -119.98 174.41 5.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.456 0 CA-C-N 114.865 -1.061 . . . . 25.0 108.978 174.554 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 25.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 25.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 25.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 25.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 25.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 25.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 25.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 25.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.29 -33.79 75.33 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 25.0 110.305 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 -27.49 44.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -174.91 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.03 -28.28 69.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.709 -0.797 . . . . 25.0 109.139 175.575 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -70.49 -28.51 65.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 155.65 141.39 3.2 Favored Glycine 0 C--O 1.217 -0.916 0 CA-C-O 122.87 1.261 . . . . 25.0 114.319 174.584 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -78.12 0.29 74.01 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 119.333 -1.413 . . . . 25.0 111.177 177.587 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.71 -0.68 7.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-O 122.195 0.997 . . . . 25.0 110.17 176.783 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.42 47.31 1.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.199 1.476 . . . . 25.0 109.152 -178.664 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.2 -1.546 0 C-N-CA 124.921 1.288 . . . . 25.0 112.126 176.146 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -83.3 10.94 7.4 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.329 -2.107 . . . . 25.0 111.531 -177.594 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -60.89 -17.39 50.41 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.277 0.631 . . . . 25.0 111.299 176.935 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 82.8 tttt -53.9 -31.22 49.24 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 177.243 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 25.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 25.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' HE2' ' A' ' 4' ' ' LYS . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 25.0 110.362 -175.119 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD23 HD13 ' B' ' 155' ' ' ILE . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.775 -178.287 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 25.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 25.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 25.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 25.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 25.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 25.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.771 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 25.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 25.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 25.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 25.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 25.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 25.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 25.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 25.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 25.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 25.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 179.728 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 25.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 25.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 25.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 25.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 25.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 25.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 25.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.92 -41.61 78.46 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.43 -33.5 71.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.751 -1.113 . . . . 25.0 112.321 177.515 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.69 -47.15 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 121.112 -0.992 . . . . 25.0 111.814 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -64.74 -31.78 73.17 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.518 -0.739 . . . . 25.0 110.635 177.155 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -69.57 -42.18 74.86 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 117.82 -1.086 . . . . 25.0 111.195 175.011 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.06 96.14 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 119.567 -0.853 . . . . 25.0 109.25 177.222 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -64.84 -40.18 94.76 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 122.068 0.937 . . . . 25.0 111.254 179.331 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.25 -39.68 86.16 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 121.544 -0.722 . . . . 25.0 111.034 177.07 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.71 -32.89 73.84 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.793 -1.192 . . . . 25.0 108.158 -179.707 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.94 68.74 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.021 -179.392 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.89 -34.31 64.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.004 0.907 . . . . 25.0 111.844 176.769 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.05 -60.78 2.11 Favored 'General case' 0 C--O 1.198 -1.647 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.593 -176.33 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 43.78 38.72 2.17 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.247 0.619 . . . . 25.0 112.481 -170.561 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -152.64 9.41 0.46 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 124.397 1.061 . . . . 25.0 112.198 -176.046 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.31 120.58 5.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.129 -0.487 . . . . 25.0 111.145 -177.07 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.191 -1.99 0 CA-C-O 123.064 1.412 . . . . 25.0 111.096 177.437 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.947 0 CA-C-O 123.475 1.597 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.55 38.49 25.86 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 126.142 1.777 . . . . 25.0 108.992 -179.771 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.16 139.95 47.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 -178.161 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.28 155.02 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.82 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.044 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -130.23 144.46 51.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -175.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 32.89 1.18 Allowed 'General case' 0 C--O 1.251 1.173 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 67.56 164.23 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 114.181 -1.372 . . . . 25.0 110.614 -177.991 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 44.03 2.06 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.017 -1.052 . . . . 25.0 110.278 -177.339 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 38.4 mt 61.13 -171.32 0.15 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.343 -1.298 . . . . 25.0 113.257 176.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.01 40.37 3.23 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.55 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.5 96.19 3.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 175.594 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.78 40.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.726 -0.789 . . . . 25.0 110.584 -176.478 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 49.4 mtt 60.48 -179.28 0.1 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.223 1.409 . . . . 25.0 113.734 178.334 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.21 -58.91 4.2 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-O 117.849 -1.529 . . . . 25.0 114.143 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -96.55 63.28 2.07 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.45 1.625 . . . . 25.0 111.852 -179.533 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -72.36 3.0 5.17 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 120.805 -1.185 . . . . 25.0 111.366 174.043 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 96.9 t -80.06 130.27 36.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.151 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.21 93.78 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 O-C-N 121.764 -0.585 . . . . 25.0 112.146 -177.307 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 37.3 mt-10 91.02 -37.26 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.917 0 N-CA-C 120.281 3.437 . . . . 25.0 120.281 177.351 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.53 2.74 4.85 Favored 'Trans proline' 0 C--O 1.253 1.262 0 C-N-CA 113.553 -3.831 . . . . 25.0 116.947 -175.67 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -152.95 150.93 25.34 Favored Pre-proline 0 C--O 1.26 1.613 0 CA-C-N 119.522 1.055 . . . . 25.0 109.222 -179.581 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.26 157.84 45.49 Favored 'Trans proline' 0 CA--C 1.509 -0.772 0 C-N-CA 116.703 -1.731 . . . . 25.0 113.036 177.33 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 162.87 35.47 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 179.719 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 0.3 OUTLIER 95.05 -32.24 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.604 0 N-CA-C 120.074 3.361 . . . . 25.0 120.074 172.202 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.89 132.75 18.87 Favored 'Trans proline' 0 C--N 1.364 1.373 1 C-N-CA 112.199 -4.734 . . . . 25.0 112.46 177.747 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.25 27.34 0.25 Allowed 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.935 -179.008 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 86.1 p -97.78 157.72 15.91 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 -179.605 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -124.17 150.18 62.75 Favored Pre-proline 0 C--O 1.221 -0.403 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.391 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.82 156.21 57.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 116.184 1.571 . . . . 25.0 116.184 175.395 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.2 p -120.55 157.41 29.52 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.136 0.975 . . . . 25.0 108.375 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 m -112.02 16.09 20.39 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.782 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.22 178.04 38.83 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 111.513 -0.635 . . . . 25.0 111.513 178.789 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.75 159.1 18.89 Favored 'Trans proline' 0 CA--C 1.502 -1.105 0 C-N-CA 123.531 2.821 . . . . 25.0 111.76 -174.076 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -84.91 174.33 7.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 N-CA-C 109.847 -0.867 . . . . 25.0 109.847 172.802 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 177.15 152.21 9.72 Favored Glycine 0 C--O 1.219 -0.822 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 177.279 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.91 30.41 1.17 Allowed 'General case' 0 C--O 1.181 -2.5 0 O-C-N 124.246 0.615 . . . . 25.0 111.436 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -73.7 147.58 43.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 25.0 111.097 -173.544 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -167.27 176.48 42.13 Favored Glycine 0 C--O 1.217 -0.946 0 CA-C-O 118.141 -1.366 . . . . 25.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.46 57.8 0.24 Allowed Glycine 0 C--N 1.342 0.864 0 CA-C-O 119.179 -0.79 . . . . 25.0 113.362 -179.824 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 3.3 p -146.04 102.07 3.59 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 119.595 1.698 . . . . 25.0 109.898 -174.015 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.9 tp -144.05 12.39 1.61 Allowed 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 -178.784 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 37.9 mt 64.74 159.25 0.1 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.709 2.004 . . . . 25.0 115.923 178.086 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 27.9 t -152.24 147.68 26.67 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 -178.062 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.41 129.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 123.982 0.802 . . . . 25.0 109.975 179.299 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.93 131.42 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 178.147 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -122.87 -9.71 8.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.387 1.055 . . . . 25.0 111.884 173.834 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 45.6 51.47 9.97 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.531 1.132 . . . . 25.0 113.479 177.642 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.0 -8.69 60.18 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 119.997 -1.097 . . . . 25.0 111.483 176.3 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 6.1 p -72.64 148.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 105.505 -2.035 . . . . 25.0 105.505 -179.751 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.2 -72.1 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.248 -1.141 . . . . 25.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -115.2 165.18 13.21 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 119.097 -1.041 . . . . 25.0 109.827 178.564 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.43 -47.02 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.383 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 15.7 m 41.84 46.65 3.46 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 117.398 2.37 . . . . 25.0 117.398 170.914 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.8 m -83.05 26.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.419 0.688 . . . . 25.0 109.67 173.018 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 155' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 11' ' ' LEU . 17.3 pt -122.8 168.16 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 -175.184 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 25.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 25.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 25.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 25.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 25.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 25.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 25.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 25.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 25.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.89 -33.98 76.45 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.691 -179.246 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -25.81 61.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 175.649 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.99 -13.07 61.88 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.545 -0.722 . . . . 25.0 111.256 179.643 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -81.74 -5.25 57.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.062 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 119.06 -23.52 8.63 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.084 177.785 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 73.25 32.53 60.09 Favored Glycine 0 CA--C 1.494 -1.232 0 O-C-N 121.523 -0.986 . . . . 25.0 111.86 179.118 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.66 41.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 114.329 1.233 . . . . 25.0 114.329 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 53.35 51.13 16.01 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 124.538 2.113 . . . . 25.0 112.173 179.369 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 127.023 2.129 . . . . 25.0 113.001 178.056 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 111.49 0.181 . . . . 25.0 111.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.455 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 25.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 25.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 25.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 25.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 25.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 25.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 25.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 25.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 25.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 25.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 25.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 25.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 25.0 110.605 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 25.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 25.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 25.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 25.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 25.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 25.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 25.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.639 0.256 . . . . 25.0 110.679 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 25.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 25.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 25.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 25.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 25.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 25.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 25.0 111.093 178.36 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 110.216 -0.29 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 25.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 25.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 25.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 25.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 25.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 25.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 25.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 25.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 25.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 25.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 25.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 25.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 25.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 25.0 110.738 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 25.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 25.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 25.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 25.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 25.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 25.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 25.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 CA--C 1.521 -0.165 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 25.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 25.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 25.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 25.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 25.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 25.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt . . . . . 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 25.0 110.561 176.378 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 25.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 25.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 25.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 25.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 25.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 25.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 25.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 25.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 25.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 25.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 25.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 25.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 25.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 25.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 25.0 109.79 176.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 25.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 25.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 25.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 25.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 25.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 25.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 25.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 25.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 25.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 25.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 25.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 25.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 25.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 25.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 25.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 25.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 25.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 25.0 110.404 176.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 25.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 25.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 25.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 25.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 25.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 25.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 25.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 25.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' HE2' HD22 ' A' ' 37' ' ' LEU . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 25.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 25.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 25.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 25.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 23' ' ' ALA . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 25.0 110.905 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 25.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 25.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 25.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 25.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 25.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 25.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 25.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 25.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 25.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 110.362 -0.236 . . . . 25.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 25.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 25.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 25.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 25.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 25.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 25.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 25.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 25.0 109.948 175.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 25.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 25.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 25.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 25.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 25.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 25.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 25.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 25.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 25.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 25.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 25.0 110.999 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 25.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 25.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 25.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 25.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 25.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 25.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 25.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 25.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 25.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 25.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 25.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 . . . . . 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 25.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 25.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 25.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 25.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 25.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 25.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 25.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt . . . . . 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 25.0 110.261 176.468 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.546 0.202 . . . . 25.0 111.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 25.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 25.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 25.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 25.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 25.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 25.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 25.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 25.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 25.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 25.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 25.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 25.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 25.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 25.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 25.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 25.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 25.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 25.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 25.0 110.88 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 25.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 25.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 25.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 25.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 25.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 25.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 25.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 25.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 25.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 25.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 25.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 25.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 25.0 110.137 175.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 25.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.21 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 25.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 25.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 25.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 25.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 25.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HE2' HD22 ' A' ' 37' ' ' LEU . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 25.0 110.143 -178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 25.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 25.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 25.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 25.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 25.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 25.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 25.0 110.862 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 25.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 25.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 25.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 25.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 25.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 25.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 25.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 25.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.77 0.319 . . . . 25.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 25.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 25.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 25.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 25.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 25.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 25.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 25.0 110.309 176.76 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 25.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 25.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 25.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 25.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 25.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 25.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 25.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 25.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 25.0 109.195 -174.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 25.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 25.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 25.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 25.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 25.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 25.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 25.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 25.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 25.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 25.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 25.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 . . . . . 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 CA--C 1.521 -0.147 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 25.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 25.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 25.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 25.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 25.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 25.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 25.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt . . . . . 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 25.0 110.492 176.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.68 0.276 . . . . 25.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 25.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 25.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 25.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 25.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 25.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 25.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 25.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 25.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 25.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 25.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 25.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 25.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 25.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 25.0 109.713 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 25.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 25.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 25.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 25.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 25.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 25.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 25.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 25.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 25.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 25.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 25.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 25.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 25.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 25.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 25.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 25.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 174.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 25.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 25.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 25.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 25.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 25.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 25.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 25.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 25.0 110.009 -177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 25.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 25.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 25.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 25.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 25.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 23' ' ' ALA . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 25.0 110.967 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 25.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 25.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 25.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 25.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 25.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 25.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 25.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 25.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 25.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 25.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 25.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 25.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 25.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 25.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 25.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 25.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 25.0 109.693 175.827 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt . . . . . 0 N--CA 1.466 0.359 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 25.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 45' ' ' HIS . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 25.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 25.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 25.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 25.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 25.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 25.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 25.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 25.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 25.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 25.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 25.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 25.0 110.548 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 25.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 25.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 25.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 15' ' ' THR . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 25.0 110.019 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 25.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 25.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 25.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' B' ' 162' ' ' LYS . 41.0 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 25.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 . . . . . 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 C--O 1.22 -0.449 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 25.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . 0.4 ' HB2' HE22 ' A' ' 52' ' ' GLN . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.499 175.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 25.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 25.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 25.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 25.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 25.0 109.922 172.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 25.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 25.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 25.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.227 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 25.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 25.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 25.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CE2' HD12 ' A' ' 37' ' ' LEU . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.317 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 25.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 25.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 25.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 25.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 25.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 25.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 25.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 27' ' ' TYR . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 25.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 25.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 25.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 19' ' ' PHE . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.137 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 25.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 25.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 25.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 25.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 25.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 25.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 25.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 25.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 25.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 25.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 25.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 25.0 110.642 176.319 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 120.805 0.336 . . . . 25.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 25.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 25.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 25.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 25.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 25.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 25.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 25.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 25.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 25.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 25.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 25.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 23' ' ' ALA . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 25.0 110.857 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 25.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 25.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 HE22 ' CG2' ' B' ' 171' ' ' VAL . 40.0 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 25.0 110.833 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 25.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 25.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 25.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 25.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 25.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 25.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 25.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 25.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 25.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . 0.403 ' CG2' HE22 ' A' ' 44' ' ' GLN . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 25.0 110.936 176.152 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.951 -0.071 . . . . 25.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 25.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 25.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 25.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 25.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 25.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 25.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 25.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 25.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 25.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 25.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 25.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 25.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 25.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 25.0 110.791 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 25.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 25.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 25.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 25.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 25.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 25.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 25.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 25.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 109.961 -0.385 . . . . 25.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 25.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 25.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 25.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 25.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 25.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 25.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 25.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.014 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 25.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 25.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 25.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 25.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 25.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 25.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 25.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 25.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 25.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 25.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 25.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 25.0 110.903 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 25.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 25.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 25.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 25.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 25.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 25.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 25.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 25.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 25.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 . . . . . 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.655 0.264 . . . . 25.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 25.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 25.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 25.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 25.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 25.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt . . . . . 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 25.0 110.265 176.906 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 25.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 25.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 25.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 25.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 25.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 25.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 25.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 25.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 25.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 25.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 25.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 25.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 25.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 25.0 110.65 175.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 25.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 25.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 HG11 ' B' ' 171' ' ' VAL . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 25.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 25.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 25.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 25.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 25.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 25.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 25.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 25.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 120.74 0.305 . . . . 25.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 25.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 25.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 25.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 25.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 25.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 25.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 25.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . 0.4 HG11 HD21 ' A' ' 41' ' ' LEU . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt . . . . . 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 25.0 109.602 176.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 25.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 25.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 25.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 25.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 25.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 25.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 25.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 25.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.61 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 25.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 25.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 25.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 25.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 25.0 110.731 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 25.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 25.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 25.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 25.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 25.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 25.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 25.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.312 0 N-CA-C 111.652 0.242 . . . . 25.0 111.652 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 25.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 25.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . 0.403 HG12 ' H ' ' B' ' 159' ' ' VAL . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 25.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 25.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 25.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 25.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 25.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 25.0 110.724 175.764 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 25.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 25.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 25.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 25.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 25.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 25.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 25.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 25.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 25.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 25.0 111.164 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 25.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 25.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 25.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 25.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 25.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 25.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 25.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 25.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 25.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 25.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 25.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 25.0 110.182 176.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.431 0.53 . . . . 25.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 25.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 25.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' B' ' 155' ' ' ILE . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 25.0 109.719 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 25.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 25.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 25.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 25.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 25.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 25.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 25.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 25.0 111.226 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 25.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 33' ' ' GLN . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.46 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 25.0 110.095 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 25.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 25.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 25.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 25.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 25.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 25.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 25.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 25.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 25.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . 0.408 HD13 HD23 ' A' ' 11' ' ' LEU . 35.3 pt . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 120.355 0.121 . . . . 25.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 25.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 25.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 25.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 25.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 25.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 25.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt . . . . . 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 25.0 110.574 174.811 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 110.427 -0.212 . . . . 25.0 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' B' ' 155' ' ' ILE . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 25.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 25.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 25.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 25.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 25.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 25.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' HE2' HD22 ' A' ' 37' ' ' LEU . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 25.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 25.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 25.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 25.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 25.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 25.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 25.0 110.708 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 25.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 25.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 25.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 25.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 25.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 25.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 25.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 25.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 25.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . 0.449 HD12 ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 25.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 25.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 25.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 25.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 25.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 175.312 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 119.828 -0.129 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 25.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 25.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 25.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 25.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 25.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 25.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 25.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 25.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 25.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 25.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 25.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 25.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 23' ' ' ALA . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 25.0 110.732 176.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 25.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 25.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 25.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 25.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 25.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 25.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 25.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.568 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 25.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.216 -0.665 0 N-CA-C 111.262 0.097 . . . . 25.0 111.262 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 173.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 25.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 25.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 25.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt . . . . . 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 25.0 110.236 174.869 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 25.0 110.994 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 25.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 25.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 25.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 25.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 25.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 25.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 25.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 25.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 25.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 25.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 25.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 25.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 25.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 25.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 25.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 25.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 25.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 25.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 25.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 25.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 25.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 25.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 25.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 25.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 25.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 25.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 25.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 25.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 25.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 25.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 25.0 110.937 174.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.464 0.274 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 25.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 25.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 25.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 25.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 25.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 25.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 25.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 25.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 25.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 25.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 25.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 25.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 25.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 25.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 25.0 110.861 178.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 25.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 25.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 25.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 25.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 25.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 25.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 25.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 25.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 25.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 25.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.159 -0.312 . . . . 25.0 110.159 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 25.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 25.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 25.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 25.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 25.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 174.749 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 25.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 25.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 25.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HE2' HD22 ' A' ' 37' ' ' LEU . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 25.0 110.035 -177.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 25.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 25.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 25.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 25.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 25.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 25.0 110.303 173.529 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 25.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 25.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 25.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 25.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 25.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 25.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 25.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.661 0.267 . . . . 25.0 111.679 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 25.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 25.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 25.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 25.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 25.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 25.0 110.231 175.833 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 25.0 111.191 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 25.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 25.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 25.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 25.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 25.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 25.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 25.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 25.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 25.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 25.0 110.284 -173.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 25.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 25.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 25.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 25.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 25.0 110.093 177.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 25.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 25.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 25.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 25.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 25.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 25.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 25.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 25.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 25.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 25.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 25.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 25.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 25.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 25.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 25.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 25.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 25.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 25.0 110.457 176.168 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 25.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 25.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 25.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 25.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 25.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 25.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 25.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 25.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 25.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 25.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 25.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 25.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 25.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 25.0 110.51 178.244 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 25.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 25.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 171' ' ' VAL . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.058 -179.619 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 25.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 25.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 25.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 25.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 25.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 25.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 25.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 25.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 25.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 25.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 25.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 25.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 25.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 41' ' ' LEU . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm . . . . . 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 25.0 109.424 175.604 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 25.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 25.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 25.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 25.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 25.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 25.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 25.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 25.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 25.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 25.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 25.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 25.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 25.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 25.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 25.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 25.0 110.353 178.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 25.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 25.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 25.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 25.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 25.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 25.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 25.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 25.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 25.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 25.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 25.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 C--O 1.225 -0.232 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 25.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . 0.4 ' H ' HG12 ' B' ' 159' ' ' VAL . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 25.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 25.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 25.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 25.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 25.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.514 176.683 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 111.758 0.281 . . . . 25.0 111.758 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 25.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 25.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 25.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 25.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 25.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 25.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 25.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 25.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 25.0 110.97 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 25.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 25.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 25.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 25.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 25.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 25.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 23' ' ' ALA . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 25.0 109.623 175.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 25.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 25.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 25.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 HD22 HD12 ' B' ' 168' ' ' LEU . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 25.0 111.079 -178.274 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 25.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 25.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 25.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 25.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 25.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 25.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 25.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.372 0.13 . . . . 25.0 111.278 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 25.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 25.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 25.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 41' ' ' LEU . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 25.0 111.847 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 25.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 25.0 111.058 175.503 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 25.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 25.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 25.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 25.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 25.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 25.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 25.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 25.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 25.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 25.0 110.861 -177.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 25.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 25.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 25.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 25.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 25.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 25.0 110.517 178.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 25.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 25.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 25.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 25.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 25.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 25.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 25.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 25.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 25.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 25.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 25.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 25.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 25.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 25.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 25.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 25.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt . . . . . 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 25.0 109.881 177.209 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 25.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 -179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 25.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 25.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 25.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 25.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 25.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 25.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 25.0 110.86 -179.176 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 25.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 25.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 25.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 25.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 23' ' ' ALA . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 25.0 110.576 173.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 25.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 25.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 25.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 25.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 25.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 25.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 25.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 25.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 25.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 25.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt . . . . . 0 N--CA 1.471 0.577 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 25.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 25.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 25.0 110.005 177.586 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--O 1.217 -0.632 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 25.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 25.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 25.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 25.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 25.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 25.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 25.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 25.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 25.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 25.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 25.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 25.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 25.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 25.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 25.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 25.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 23' ' ' ALA . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 25.0 110.248 176.389 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 25.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 25.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 25.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 25.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 25.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 25.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 25.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 25.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 25.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 25.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 25.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 25.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.7 pt . . . . . 0 C--O 1.213 -0.841 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 25.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 25.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 25.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 25.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 25.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 25.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 25.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 25.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 178.163 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 25.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 25.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 25.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 25.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 25.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 25.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 25.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 25.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 25.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 25.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 25.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 25.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 25.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 25.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 25.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 25.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 25.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 25.0 111.091 178.706 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 25.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 25.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 25.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 25.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 25.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 25.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 25.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 25.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 25.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 25.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 25.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 120.317 0.103 . . . . 25.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 25.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 25.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 25.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 25.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 25.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 25.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 25.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 25.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 25.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 25.0 110.329 175.866 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 111.583 0.216 . . . . 25.0 111.583 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 25.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 25.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 25.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 25.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 25.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 25.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 25.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 25.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 25.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 25.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 25.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 25.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 25.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 25.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 25.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 25.0 111.751 175.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 25.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 25.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 25.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 25.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 25.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 25.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 109.285 -0.635 . . . . 25.0 109.285 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 25.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 25.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 25.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 25.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 25.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . 0.493 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt . . . . . 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 25.0 110.376 177.527 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.446 0.165 . . . . 25.0 110.987 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 25.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 25.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 25.0 111.669 178.678 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 25.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 25.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 25.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 25.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 25.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 25.0 111.075 178.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 25.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 33' ' ' GLN . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -178.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 25.0 111.191 176.539 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 25.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 25.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 25.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 25.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 25.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 25.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 25.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 25.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 25.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.044 -0.725 . . . . 25.0 109.044 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 25.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 25.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 25.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 25.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 25.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . 0.501 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 25.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt . . . . . 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 25.0 110.235 177.161 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.262 0.468 . . . . 25.0 112.262 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 25.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 25.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 25.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 25.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 25.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 25.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 25.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 25.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 25.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 25.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 25.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 25.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 25.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 25.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 25.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 25.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 25.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 25.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 25.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 25.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 25.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt . . . . . 0 C--O 1.203 -1.347 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 25.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 25.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 25.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 25.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 176.894 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 112.32 0.489 . . . . 25.0 112.32 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 25.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 25.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 25.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 25.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 25.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 25.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 25.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 25.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 25.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 25.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 25.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 25.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 25.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 25.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 25.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 25.0 110.967 177.17 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 25.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 25.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 25.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 25.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 25.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 25.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 25.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 25.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 25.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 25.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 25.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 25.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 25.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 175.009 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 25.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 25.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 25.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 25.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 25.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 25.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 25.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 25.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 25.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 25.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 25.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 25.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 25.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 25.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 25.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 25.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 25.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 25.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 25.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 25.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 25.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 25.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 HE22 ' HB2' ' B' ' 162' ' ' LYS . 39.5 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 25.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 25.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . 0.45 ' HB2' HE22 ' A' ' 52' ' ' GLN . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 25.0 111.957 178.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 25.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 25.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 25.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 25.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 25.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 25.0 109.942 176.43 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt . . . . . 0 C--O 1.21 -1.023 0 N-CA-C 109.654 -0.498 . . . . 25.0 109.654 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 25.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 25.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 25.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 25.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 25.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 25.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 25.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 25.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 25.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 25.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 25.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 25.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 25.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 25.0 110.128 177.785 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 25.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 25.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 25.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 25.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 25.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 25.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 25.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 25.0 112.206 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 25.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 25.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 25.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 25.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 25.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 25.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 175.244 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 120.687 0.28 . . . . 25.0 110.792 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 25.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 25.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 25.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 25.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 25.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 25.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 25.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 25.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 25.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 25.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 25.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 25.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 25.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 25.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 25.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 25.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 25.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.701 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 178.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 25.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 25.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 25.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 25.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 25.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 25.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 25.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 25.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 25.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 25.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 25.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 25.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 25.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 25.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 25.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 25.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 25.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 25.0 109.306 175.761 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 25.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 25.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 25.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 25.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 25.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 25.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 25.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 25.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 25.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 25.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 25.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 25.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 25.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 25.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 25.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 25.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 25.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 25.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 25.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 25.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 25.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 25.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 25.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 25.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 25.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 25.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--O 1.235 0.328 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 25.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 25.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 25.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 25.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 25.0 109.387 175.287 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 25.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 25.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 25.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 25.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 25.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 25.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 25.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 25.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 25.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 25.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 25.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 25.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 25.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 25.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 25.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.06 178.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 25.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 25.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 25.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 25.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 25.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 25.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 25.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 25.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 25.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 25.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 25.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 25.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 25.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 25.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 174.132 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 121.926 0.87 . . . . 25.0 111.672 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 25.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 25.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 25.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 25.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 25.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 25.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 25.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 25.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 25.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 25.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 25.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 25.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 25.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 25.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 25.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 25.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 25.0 110.175 -179.156 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 25.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 25.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 25.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 25.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 25.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 25.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt . . . . . 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 25.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 25.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 25.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 25.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 25.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 25.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt . . . . . 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 25.0 109.708 178.055 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt . . . . . 0 C--O 1.24 0.581 0 N-CA-C 111.361 0.134 . . . . 25.0 111.361 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 25.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 25.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 25.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 25.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 25.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 25.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 25.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 25.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 25.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 25.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 25.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 25.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 25.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 25.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 25.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 25.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 25.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 25.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 25.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 25.0 110.477 178.745 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 25.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 25.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 25.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 25.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 25.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 25.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 25.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 25.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 25.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 25.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 25.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 25.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 25.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 25.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 25.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt . . . . . 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 25.0 111.543 177.266 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.124 0.488 . . . . 25.0 110.447 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 25.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 25.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 25.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 25.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 25.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 25.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 25.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 25.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 25.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 25.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 25.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 25.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 25.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 25.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 25.0 111.612 178.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 25.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 25.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 25.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 25.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 25.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 25.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 25.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 25.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 25.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 25.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 25.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--O 1.257 1.456 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 25.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 25.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 25.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 25.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 25.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 25.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 25.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 25.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 25.0 110.305 175.071 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 82.8 tttt . . . . . 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 25.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 25.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' HE2' ' A' ' 4' ' ' LYS . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 25.0 110.362 -175.119 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD23 HD13 ' B' ' 155' ' ' ILE . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.775 -178.287 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 25.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 25.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 25.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 25.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 25.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 25.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.771 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 25.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 25.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 25.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 25.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 25.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 25.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 25.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 25.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 25.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 25.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 179.728 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 25.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 25.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 25.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 25.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 25.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 25.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 25.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 . . . . . 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 155' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 11' ' ' LEU . 17.3 pt . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 25.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 25.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 25.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 25.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 25.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 25.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 25.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 25.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 25.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.691 -179.246 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.508 2.447 0 N-CA-C 115.269 1.581 . . . . 25.0 115.269 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 57.48 24.39 10.21 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.413 1.485 . . . . 25.0 112.326 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -58.13 -22.24 50.16 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -64.81 -33.85 76.96 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.478 -0.764 . . . . 25.0 111.49 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -61.95 -41.18 97.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -171.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.418 HE21 HG21 ' B' ' 154' ' ' VAL . 7.6 pt20 -65.9 -31.37 72.26 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.455 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -65.93 -48.33 82.25 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -57.77 -43.73 85.7 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.576 -0.45 . . . . 25.0 109.932 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.11 92.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.698 0.285 . . . . 25.0 110.931 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.86 -40.09 65.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.568 0.699 . . . . 25.0 110.566 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 mt -66.33 -42.78 87.68 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.092 -0.504 . . . . 25.0 110.081 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -62.89 -35.49 80.2 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -61.03 -49.52 77.05 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.13 -7.8 59.59 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.586 0.958 . . . . 25.0 113.586 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -117.2 3.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -54.2 37.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.961 0.41 . . . . 25.0 111.807 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.75 -33.74 53.82 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 116.581 -0.281 . . . . 25.0 110.313 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.88 -46.33 82.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.55 0.69 . . . . 25.0 110.842 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -68.75 -36.55 78.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.86 -42.6 94.74 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.13 -41.33 94.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.223 -0.298 . . . . 25.0 110.417 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -69.8 -40.95 75.68 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.303 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.25 -33.99 77.09 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.849 -0.532 . . . . 25.0 110.562 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.5 74.69 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -69.74 -37.17 76.36 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.827 0.346 . . . . 25.0 110.856 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -85.28 -39.42 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -130.62 64.63 73.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.74 0.305 . . . . 25.0 110.734 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.23 141.63 76.4 Favored 'Trans proline' 0 CA--C 1.519 -0.225 0 C-N-CA 115.899 -2.267 . . . . 25.0 112.161 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.48 -27.14 2.17 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.458 0.943 . . . . 25.0 115.458 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.76 85.07 5.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 118.471 1.136 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -54.45 -38.95 66.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.994 -0.548 . . . . 25.0 112.398 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.4 -46.66 75.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.988 -0.445 . . . . 25.0 110.443 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -65.43 -33.86 76.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.076 0.465 . . . . 25.0 111.007 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.94 -47.2 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.033 -0.53 . . . . 25.0 109.845 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.5 -41.84 99.09 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 122.247 -0.283 . . . . 25.0 111.266 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.63 -45.75 90.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 110.336 -0.246 . . . . 25.0 110.336 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.0 tp -66.12 -39.79 90.19 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.923 -0.486 . . . . 25.0 110.605 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.02 -41.34 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -61.26 -39.57 90.83 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.69 -0.631 . . . . 25.0 111.876 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -65.08 -42.92 93.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.465 . . . . 25.0 109.743 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.96 -40.26 96.02 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.306 -0.406 . . . . 25.0 111.406 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.79 -42.39 98.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.072 0.768 . . . . 25.0 113.072 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.32 -42.36 45.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.738 -0.785 . . . . 25.0 110.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -59.71 -38.42 81.57 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.124 -0.631 . . . . 25.0 109.688 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -59.71 -47.79 84.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 115.937 -0.574 . . . . 25.0 109.683 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.38 -41.6 97.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -60.27 -51.21 70.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -64.3 -42.9 96.13 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.642 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.42 -48.39 81.83 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 122.399 -0.188 . . . . 25.0 111.234 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.8 tpp -67.81 -41.6 82.87 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.265 -0.272 . . . . 25.0 111.301 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.114 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -73.61 -46.58 46.07 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.418 -0.177 . . . . 25.0 110.826 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.99 -40.49 85.02 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.169 0.587 . . . . 25.0 111.017 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.67 -39.69 85.33 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -70.84 -28.19 64.42 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.99 -47.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 121.792 -0.567 . . . . 25.0 111.24 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.31 -28.84 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.524 0.678 . . . . 25.0 109.216 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.92 -42.31 76.99 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.576 -0.738 . . . . 25.0 110.409 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.45 96.23 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.75 -42.18 97.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 25.0 110.032 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -62.97 -44.35 96.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.693 0.282 . . . . 25.0 111.132 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.62 -37.35 87.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.102 -0.374 . . . . 25.0 111.016 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.11 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.676 0.274 . . . . 25.0 111.373 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.73 -24.52 49.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.978 0.418 . . . . 25.0 110.432 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.35 -54.91 3.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.561 0.578 . . . . 25.0 112.561 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 44.4 37.71 2.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.135 0.974 . . . . 25.0 112.928 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -114.39 25.86 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 25.0 112.286 -173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 52.76 36.71 21.94 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 122.743 1.259 . . . . 25.0 110.131 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 . . . . . 0 C--O 1.211 -0.923 0 CA-C-O 124.132 1.92 . . . . 25.0 109.955 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 123.807 1.782 . . . . 25.0 113.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.73 35.62 24.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.074 -2.063 . . . . 25.0 111.995 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 28.0 ptm -69.42 147.1 51.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 25.0 110.06 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 81.7 t -135.56 134.29 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -135.64 146.43 47.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.339 -1.726 . . . . 25.0 106.339 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.97 143.32 44.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -138.66 165.77 26.09 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.194 -1.78 . . . . 25.0 106.194 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 37.5 m -144.39 147.27 33.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -149.82 139.05 21.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.999 -2.593 . . . . 25.0 103.999 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.92 129.48 36.39 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.645 -1.243 . . . . 25.0 107.645 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 p -137.78 116.0 13.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 105.55 -2.018 . . . . 25.0 105.55 177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.81 175.05 13.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 -175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.5 ptp -70.46 153.55 42.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.35 33.45 2.26 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 114.255 0.462 . . . . 25.0 114.255 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.65 3.91 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p 47.11 44.04 14.88 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.922 -1.035 . . . . 25.0 113.768 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.06 127.59 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.154 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.38 149.92 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 103.958 -2.608 . . . . 25.0 103.958 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 107.84 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.86 0 C-N-CA 128.366 2.667 . . . . 25.0 113.985 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.53 150.52 69.73 Favored 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 112.629 -4.448 . . . . 25.0 111.901 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.66 119.15 44.81 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.869 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.71 145.36 36.72 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 116.338 -1.974 . . . . 25.0 111.911 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 pp -156.32 158.93 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt 98.29 -52.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.43 0 C-N-CA 128.237 2.615 . . . . 25.0 118.009 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -61.38 130.19 31.07 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 113.634 -3.778 . . . . 25.0 112.695 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.33 22.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.598 0.713 . . . . 25.0 109.313 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 34.0 t -83.27 119.73 24.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.011 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -129.14 158.47 72.8 Favored Pre-proline 0 C--O 1.24 0.567 0 N-CA-C 105.945 -1.872 . . . . 25.0 105.945 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.59 156.32 61.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 117.122 -1.452 . . . . 25.0 113.042 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.3 t -142.28 152.58 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -131.68 22.21 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 129.58 -163.21 22.74 Favored Glycine 0 C--O 1.235 0.168 0 N-CA-C 109.356 -1.498 . . . . 25.0 109.356 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.56 155.39 69.16 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.283 1.541 . . . . 25.0 111.486 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.35 6.99 3.97 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 114.627 0.972 . . . . 25.0 114.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.96 -163.48 50.93 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 109.987 -1.245 . . . . 25.0 109.987 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -148.3 40.03 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.951 -1.5 . . . . 25.0 106.951 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -107.74 -0.84 21.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.967 -1.015 . . . . 25.0 112.274 -168.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.88 -160.08 53.89 Favored Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -151.15 154.12 25.38 Favored Glycine 0 CA--C 1.508 -0.405 0 N-CA-C 106.594 -2.603 . . . . 25.0 106.594 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.0 m 50.08 42.47 24.95 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 117.369 0.584 . . . . 25.0 111.447 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.42 59.44 5.06 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 122.419 1.104 . . . . 25.0 110.25 -175.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.92 160.24 25.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.608 -1.178 . . . . 25.0 108.086 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.8 p -146.51 157.91 43.82 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.866 -1.902 . . . . 25.0 105.866 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.8 t -109.45 133.96 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -71.78 122.55 24.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 74.1 p -107.4 -9.2 16.06 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 122.696 1.236 . . . . 25.0 109.601 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.46 29.28 5.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 111.941 -2.39 . . . . 25.0 114.253 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.78 40.37 2.98 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.061 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.85 103.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.099 0.476 . . . . 25.0 110.272 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 123.4 43.91 0.34 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.866 -0.606 . . . . 25.0 112.584 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.41 145.8 55.5 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp 59.45 -83.88 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.804 1.779 . . . . 25.0 115.804 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.3 m -154.96 85.92 1.1 Allowed 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.236 0.614 . . . . 25.0 109.482 -176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.418 HG21 HE21 ' A' ' 6' ' ' GLN . 8.1 p -87.17 28.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 122.404 1.097 . . . . 25.0 109.959 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.4 pt -141.21 166.62 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.348 -0.842 . . . . 25.0 110.679 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.98 108.14 19.68 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.17 -1.418 . . . . 25.0 107.17 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.39 -23.74 32.12 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 116.497 -1.869 . . . . 25.0 114.775 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -75.45 -37.52 60.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 25.0 111.281 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.4 t -66.96 -37.4 79.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.512 -1.662 . . . . 25.0 106.512 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.93 73.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.663 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -47.6 84.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -66.96 -40.97 87.63 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.632 -0.427 . . . . 25.0 110.619 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.43 -49.48 76.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.773 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.7 p -69.28 -33.36 73.09 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.218 -0.593 . . . . 25.0 111.288 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.49 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -67.53 -41.21 84.74 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.268 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.78 -45.42 98.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.632 -0.667 . . . . 25.0 110.243 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.32 -39.71 89.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -72.73 -37.05 67.87 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.468 -0.77 . . . . 25.0 112.326 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -72.13 -41.26 67.39 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.571 -0.705 . . . . 25.0 112.567 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.19 -25.84 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.145 0.497 . . . . 25.0 110.799 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -64.07 -33.79 76.56 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 122.103 -0.373 . . . . 25.0 111.093 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.93 -27.78 43.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.086 0.773 . . . . 25.0 113.086 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.17 -33.18 75.18 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.773 0.796 . . . . 25.0 108.876 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -65.17 -30.83 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.527 -1.215 . . . . 25.0 111.204 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 153.43 130.34 1.47 Allowed Glycine 0 C--O 1.223 -0.579 0 C-N-CA 121.328 -0.463 . . . . 25.0 113.019 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -83.82 16.57 31.06 Favored Glycine 0 C--O 1.222 -0.61 0 O-C-N 122.259 -0.553 . . . . 25.0 113.852 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.85 -0.33 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.986 0.898 . . . . 25.0 110.908 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -138.85 94.64 2.85 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.75 -1.113 . . . . 25.0 109.025 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 124.94 2.305 . . . . 25.0 110.787 -178.698 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 123.973 1.844 . . . . 25.0 113.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -64.53 -27.94 69.31 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 120.413 -1.429 . . . . 25.0 110.764 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.41 -34.86 78.65 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.961 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -75.97 -35.93 59.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.187 0.449 . . . . 25.0 110.216 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.88 -44.47 91.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.633 0.234 . . . . 25.0 111.633 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -65.19 -31.3 72.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.645 -0.422 . . . . 25.0 111.684 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -67.78 -52.24 42.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 mtp -58.94 -39.59 82.07 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.711 -0.396 . . . . 25.0 111.043 -175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.45 97.67 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.494 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.84 71.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.494 0.664 . . . . 25.0 110.818 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.0 -40.37 87.33 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.75 -35.71 80.68 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -60.99 -49.56 76.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.3 -14.43 59.01 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -111.64 3.57 17.99 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -54.36 36.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.85 0.357 . . . . 25.0 111.508 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.09 -32.79 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.729 -0.214 . . . . 25.0 110.498 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -65.96 -46.51 77.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.431 0.634 . . . . 25.0 110.959 -177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.39 -34.92 70.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.932 -0.576 . . . . 25.0 109.484 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.03 -44.03 93.77 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 111.445 0.165 . . . . 25.0 111.445 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.13 -42.1 96.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.263 -0.273 . . . . 25.0 110.73 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -69.84 -40.55 75.76 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.427 -0.509 . . . . 25.0 111.724 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.17 -33.59 76.38 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.739 -0.601 . . . . 25.0 110.319 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -30.86 66.18 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 109.946 -0.39 . . . . 25.0 109.946 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.9 -43.95 78.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.38 . . . . 25.0 110.375 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -80.07 -39.19 30.22 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -131.31 65.6 76.75 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.818 0.342 . . . . 25.0 110.671 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.26 141.38 75.18 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 116.095 -2.137 . . . . 25.0 112.349 -176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -25.76 2.11 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 115.647 1.019 . . . . 25.0 115.647 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -89.71 86.98 6.83 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 118.432 1.116 . . . . 25.0 110.201 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -51.38 -46.07 62.67 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.79 -48.32 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.904 -0.497 . . . . 25.0 110.985 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -63.49 -34.36 77.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 25.0 111.612 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.43 -45.88 88.88 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 176.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.48 -43.21 99.37 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 122.264 -0.272 . . . . 25.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.64 -44.79 86.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.426 0.155 . . . . 25.0 110.669 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.5 tp -66.86 -41.53 87.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.845 -0.534 . . . . 25.0 110.738 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.15 -40.89 87.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.345 -0.613 . . . . 25.0 109.345 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -59.33 -42.02 90.48 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.805 -0.559 . . . . 25.0 111.397 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.85 -43.29 88.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.06 0.457 . . . . 25.0 110.294 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.26 -39.14 93.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.965 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -60.47 -44.66 95.66 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.61 -44.06 44.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.857 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.53 -38.33 84.07 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.518 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -61.24 -47.94 83.75 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 109.67 -0.492 . . . . 25.0 109.67 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.763 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.2 -50.4 73.26 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.418 -0.215 . . . . 25.0 110.418 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -65.86 -42.19 90.73 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 121.35 -0.14 . . . . 25.0 110.933 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.48 -49.47 77.43 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 111.639 0.237 . . . . 25.0 111.639 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -38.94 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.307 -176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.9 -48.5 78.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.234 0.54 . . . . 25.0 109.923 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -67.93 -43.17 79.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.182 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.36 -37.09 82.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.813 0.34 . . . . 25.0 110.24 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -61.08 -40.93 95.57 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.531 -0.468 . . . . 25.0 109.865 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.19 -34.86 79.06 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.979 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -72.73 -48.74 44.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.83 -0.348 . . . . 25.0 111.81 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.84 -29.24 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.478 0.656 . . . . 25.0 109.579 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.0 tp -69.47 -43.42 73.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.812 -0.631 . . . . 25.0 110.73 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.28 97.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.0 -41.52 97.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.399 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -62.21 -46.64 88.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.73 0.3 . . . . 25.0 111.031 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -65.52 -35.76 81.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.051 -0.405 . . . . 25.0 111.552 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.93 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.17 -30.0 54.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.24 -54.85 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.53 22.03 1.42 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.265 1.026 . . . . 25.0 113.492 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -117.92 41.49 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.871 -0.518 . . . . 25.0 110.991 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 55.8 39.39 30.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.959 1.361 . . . . 25.0 110.159 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 . . . . . 0 C--O 1.214 -0.78 0 C-N-CA 125.049 1.34 . . . . 25.0 109.439 -177.396 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 123.019 1.344 . . . . 25.0 115.419 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.33 163.07 18.8 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.626 -0.926 . . . . 25.0 108.873 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.2 ptp -130.07 149.91 51.58 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 57.6 t -140.83 123.62 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 -175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -118.93 130.1 55.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.0 -1.111 . . . . 25.0 108.0 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.76 92.26 2.05 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.09 134.01 25.5 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -159.93 155.63 25.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 104.316 -2.476 . . . . 25.0 104.316 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.08 36.12 1.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 49.67 44.69 24.66 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 177.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 m -77.48 59.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.882 0.849 . . . . 25.0 112.925 -177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.72 78.34 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 22.4 ptp -153.14 165.43 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.414 -0.588 . . . . 25.0 109.414 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.84 130.19 5.49 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -78.63 -52.72 8.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.908 0.385 . . . . 25.0 111.984 -174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 31.5 p 57.54 14.17 2.2 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 116.206 1.928 . . . . 25.0 116.206 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.32 123.96 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.408 0.623 . . . . 25.0 110.393 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.0 t -129.89 113.41 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 173.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.29 -48.61 87.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -76.81 84.69 1.87 Allowed 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 115.926 -2.249 . . . . 25.0 114.912 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 57.16 82.3 0.24 Allowed Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.41 3.93 6.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 N-CA-C 115.045 1.133 . . . . 25.0 115.045 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -102.21 149.35 24.39 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.735 -1.121 . . . . 25.0 110.323 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 9.3 pttt 86.64 -14.66 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.482 0 N-CA-C 121.336 3.828 . . . . 25.0 121.336 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -73.97 112.91 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.034 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 72.1 p -134.24 172.67 12.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.556 -0.535 . . . . 25.0 109.556 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.3 t -144.98 121.02 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 104.609 -2.367 . . . . 25.0 104.609 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -125.42 81.36 64.31 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 25.0 110.877 -171.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -72.5 147.03 45.51 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.034 -0.844 . . . . 25.0 112.806 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 44.8 p -123.0 11.73 9.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.171 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -66.22 141.68 57.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.58 171.4 41.5 Favored Glycine 0 C--O 1.235 0.211 0 N-CA-C 109.744 -1.342 . . . . 25.0 109.744 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.0 155.48 38.41 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 CA-C-N 119.273 1.537 . . . . 25.0 112.988 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.37 152.05 49.01 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 117.475 -1.217 . . . . 25.0 112.327 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.75 48.87 0.94 Allowed Glycine 0 C--O 1.223 -0.578 0 CA-C-N 116.499 -0.319 . . . . 25.0 112.443 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -123.9 75.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -145.77 155.87 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 80.23 -153.84 36.14 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 121.406 -0.426 . . . . 25.0 113.609 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 83.62 -10.11 60.38 Favored Glycine 0 C--O 1.225 -0.422 0 N-CA-C 116.023 1.169 . . . . 25.0 116.023 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 50.1 m -109.61 91.39 3.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.557 0.678 . . . . 25.0 111.874 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 49.1 tp -146.38 89.82 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.72 143.27 35.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.555 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.8 p -157.35 164.52 37.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 105.396 -2.076 . . . . 25.0 105.396 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.67 131.89 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.7 120.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.5 t -130.97 -0.33 4.19 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.402 1.096 . . . . 25.0 111.694 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -79.61 21.14 0.53 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.828 -1.533 . . . . 25.0 113.934 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.29 29.64 3.89 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 114.339 0.495 . . . . 25.0 114.339 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.7 p -151.22 142.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 158.14 -77.05 0.19 Allowed Glycine 0 C--O 1.23 -0.137 0 N-CA-C 110.066 -1.214 . . . . 25.0 110.066 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -70.12 161.14 30.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.04 0.447 . . . . 25.0 110.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 41.5 tp -122.3 -80.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.488 0.661 . . . . 25.0 111.135 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.4 p -148.72 108.24 3.97 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.64 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.66 27.32 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 105.91 -1.885 . . . . 25.0 105.91 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.19 171.4 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 113.409 -1.723 . . . . 25.0 108.51 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.53 98.75 3.91 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 173.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.23 -21.72 41.44 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 116.977 -1.549 . . . . 25.0 114.742 -173.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -74.48 -29.11 61.3 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.002 -0.679 . . . . 25.0 111.836 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.82 -40.07 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 106.577 -1.638 . . . . 25.0 106.577 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.6 -36.05 81.48 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.223 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -60.61 -42.8 97.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 25.0 110.73 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -70.45 -40.69 73.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.61 82.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.706 -177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 24.3 p -68.39 -33.35 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.01 -0.431 . . . . 25.0 110.296 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.69 -46.96 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.08 -44.86 96.73 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 120.456 -0.498 . . . . 25.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.25 -42.3 94.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 122.073 -0.392 . . . . 25.0 110.695 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.06 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.213 -0.305 . . . . 25.0 110.387 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.6 -38.0 70.91 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.41 -0.806 . . . . 25.0 112.376 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -43.98 98.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.011 -0.431 . . . . 25.0 110.367 178.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -71.29 -34.13 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.1 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.48 -32.71 74.23 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.433 -0.792 . . . . 25.0 110.561 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.93 -36.7 41.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.7 pp -69.88 -17.33 63.35 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.342 0.592 . . . . 25.0 109.9 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -73.81 -11.47 60.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.573 -0.739 . . . . 25.0 112.293 173.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -108.25 -87.53 1.91 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.075 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.48 -43.7 2.59 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 114.065 0.386 . . . . 25.0 114.065 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.41 0.38 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.461 1.652 . . . . 25.0 115.461 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.48 67.57 8.58 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.393 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . 0.346 7.5 p . . . . . 0 N--CA 1.494 1.767 0 C-N-CA 127.897 2.479 . . . . 25.0 116.844 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 124.463 2.078 . . . . 25.0 114.746 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -86.11 144.44 27.52 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 119.875 -1.766 . . . . 25.0 108.742 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.8 -34.24 72.78 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.689 -0.405 . . . . 25.0 110.173 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -59.22 -32.32 69.84 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -58.45 -41.14 84.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 118.289 0.495 . . . . 25.0 112.245 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.59 -31.25 71.16 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.35 -0.54 . . . . 25.0 110.376 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.1 mm -68.62 -49.97 60.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 108.163 -1.051 . . . . 25.0 108.163 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.8 mmm -59.21 -38.31 79.6 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.125 -0.324 . . . . 25.0 110.125 -177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.75 89.43 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.902 0.382 . . . . 25.0 111.213 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.53 67.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.853 0.358 . . . . 25.0 110.652 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.3 -41.09 94.42 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -60.21 -37.72 81.14 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.344 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -48.57 78.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -16.17 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -174.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.8 p -112.83 3.64 16.51 Favored 'General case' 0 CA--C 1.508 -0.652 0 O-C-N 121.757 -0.59 . . . . 25.0 111.869 -178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.64 -57.22 8.74 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.826 0.346 . . . . 25.0 111.353 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.86 -34.3 55.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 O-C-N 122.126 -0.359 . . . . 25.0 110.789 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.71 -45.4 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.502 -0.749 . . . . 25.0 111.652 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -74.33 -32.88 62.99 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.72 -41.42 87.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.983 -0.287 . . . . 25.0 111.609 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -64.59 -39.98 94.71 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.178 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -68.11 -40.28 82.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.919 -0.713 . . . . 25.0 110.814 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.671 -0.643 . . . . 25.0 110.257 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.98 76.35 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 119.555 -0.26 . . . . 25.0 111.384 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.4 -28.07 63.76 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.362 -0.935 . . . . 25.0 111.24 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -86.63 -39.55 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -133.88 67.95 74.67 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 122.913 0.485 . . . . 25.0 109.923 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.09 136.91 50.09 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 116.797 -1.668 . . . . 25.0 112.451 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 -19.33 3.3 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 116.324 1.29 . . . . 25.0 116.324 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -91.2 85.97 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.663 1.231 . . . . 25.0 110.559 -173.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.21 -48.28 54.37 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.7 -45.65 89.06 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.46 -0.775 . . . . 25.0 111.678 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -64.49 -32.82 74.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.09 0.471 . . . . 25.0 110.912 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.45 -44.59 90.63 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.19 -40.08 94.85 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.278 0.561 . . . . 25.0 111.727 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -64.13 -39.11 84.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.775 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.7 tp -69.34 -43.02 74.51 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.383 -0.823 . . . . 25.0 109.79 176.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.64 -40.82 88.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 122.228 -0.295 . . . . 25.0 110.701 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -64.33 -36.59 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.562 -0.711 . . . . 25.0 111.286 -177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -66.28 -44.88 82.31 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.097 0.475 . . . . 25.0 109.955 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.24 -39.38 90.09 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.294 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -65.92 -38.44 88.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.417 0.553 . . . . 25.0 112.405 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.361 -0.535 . . . . 25.0 109.605 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.12 -37.88 88.96 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.06 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -61.99 -51.33 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.87 -44.83 78.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.539 0.2 . . . . 25.0 111.539 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.03 -47.7 84.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.772 0.32 . . . . 25.0 110.653 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.4 -41.97 88.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 25.0 110.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -61.0 -48.76 80.3 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 122.305 -0.247 . . . . 25.0 111.298 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -39.08 93.32 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.959 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -67.96 -42.22 81.26 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.26 0.552 . . . . 25.0 110.751 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -70.23 -43.45 70.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.8 -39.42 84.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 120.992 0.425 . . . . 25.0 110.913 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.0 -40.68 94.46 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.416 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -67.41 -32.97 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.16 -0.216 . . . . 25.0 111.447 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -72.99 -48.3 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 122.078 -0.389 . . . . 25.0 111.288 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -66.44 -30.46 70.82 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 121.426 0.631 . . . . 25.0 109.53 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.24 -42.76 79.24 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.396 176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.93 97.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.39 -42.58 96.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.051 0.453 . . . . 25.0 110.019 177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.35 -43.84 96.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.179 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -64.88 -36.47 84.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.252 -0.28 . . . . 25.0 110.915 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.66 -26.95 64.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.859 -0.155 . . . . 25.0 111.122 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 -40.22 30.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.184 0.516 . . . . 25.0 110.387 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.9 -52.04 16.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.931 0.715 . . . . 25.0 112.931 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 52.75 24.02 3.02 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.391 1.626 . . . . 25.0 115.391 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -103.1 34.28 2.95 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 43.62 57.53 3.94 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.011 1.486 . . . . 25.0 115.011 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.569 1.652 . . . . 25.0 110.756 176.165 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 122.697 1.165 . . . . 25.0 115.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.01 163.78 31.48 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.1 mtm -127.8 146.32 50.64 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.5 125.14 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.33 6.92 7.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.236 1.017 . . . . 25.0 112.105 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.89 132.66 42.43 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.859 -1.064 . . . . 25.0 112.346 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -139.37 59.88 1.59 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -66.95 146.72 54.08 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.109 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 137.81 41.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.38 -11.71 61.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.77 98.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.82 -176.28 5.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.7 ptp -147.16 166.53 26.67 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 106.099 -1.815 . . . . 25.0 106.099 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -121.34 6.58 10.74 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 108.992 -1.643 . . . . 25.0 108.992 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -137.84 91.62 2.6 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.761 -1.22 . . . . 25.0 109.58 -170.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.1 p -82.82 -7.15 59.68 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 173.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 91.9 t -133.51 123.03 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 105.211 -2.144 . . . . 25.0 105.211 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 54.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 122.638 1.209 . . . . 25.0 113.063 -174.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.44 -73.81 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 114.486 -1.234 . . . . 25.0 108.026 172.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -79.42 178.14 7.74 Favored 'Trans proline' 0 C--N 1.359 1.127 1 C-N-CA 111.729 -5.047 . . . . 25.0 109.495 166.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.57 147.74 95.07 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 106.395 -1.705 . . . . 25.0 106.395 171.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.58 -1.89 7.45 Favored 'Trans proline' 0 C--N 1.352 0.741 0 N-CA-C 116.676 1.76 . . . . 25.0 116.676 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.08 149.79 50.24 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.262 -0.881 . . . . 25.0 108.925 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -115.51 -58.0 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.17 166.69 26.06 Favored 'Trans proline' 0 C--N 1.359 1.096 1 C-N-CA 112.479 -4.547 . . . . 25.0 109.123 167.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -71.26 116.35 11.47 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.146 -1.798 . . . . 25.0 106.146 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 t -133.51 29.29 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.385 1.088 . . . . 25.0 110.166 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -150.36 90.78 4.28 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 113.657 -1.611 . . . . 25.0 107.375 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -80.99 144.67 15.14 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 117.121 -1.452 . . . . 25.0 115.724 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 38.9 p -93.39 -5.3 49.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.531 -0.759 . . . . 25.0 109.496 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.8 m 59.88 -166.15 0.19 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.777 0.831 . . . . 25.0 112.94 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -130.5 172.81 20.28 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 110.377 -1.089 . . . . 25.0 110.377 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.65 158.48 50.59 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 CA-C-N 118.884 1.342 . . . . 25.0 112.739 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.57 139.46 44.73 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 117.093 -1.471 . . . . 25.0 112.292 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -100.22 79.5 0.47 Allowed Glycine 0 C--O 1.223 -0.58 0 CA-C-N 115.976 -0.556 . . . . 25.0 113.873 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -139.13 118.61 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.596 0.698 . . . . 25.0 110.371 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -151.7 124.04 8.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.441 0.162 . . . . 25.0 110.902 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.46 -165.49 54.77 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.093 -0.575 . . . . 25.0 114.126 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.64 177.48 44.11 Favored Glycine 0 C--O 1.227 -0.283 0 C-N-CA 121.787 -0.244 . . . . 25.0 113.441 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m 50.49 40.09 22.44 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.437 1.643 . . . . 25.0 115.437 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 25.9 tp -128.39 77.1 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.708 . . . . 25.0 110.215 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.7 164.49 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.657 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 74.0 m -153.61 161.09 42.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.5 m -97.37 157.54 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 mm -104.16 124.55 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 79.1 p -115.54 -11.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.773 0.797 . . . . 25.0 111.887 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 47.42 27.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 113.147 -1.842 . . . . 25.0 115.505 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.99 37.99 3.17 Favored Glycine 0 N--CA 1.46 0.274 0 O-C-N 121.753 -0.592 . . . . 25.0 113.846 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.5 p -121.32 147.29 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.648 -1.242 . . . . 25.0 107.648 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -166.45 -101.54 0.15 Allowed Glycine 0 C--O 1.225 -0.461 0 N-CA-C 110.808 -0.917 . . . . 25.0 110.808 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 64.86 170.54 0.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.57 1.148 . . . . 25.0 113.34 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 37.5 tp -156.63 142.2 17.63 Favored 'General case' 0 C--O 1.217 -0.641 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.1 m 62.81 95.83 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.9 m -78.25 34.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.5 pt -141.7 172.19 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.44 100.21 2.54 Favored Pre-proline 0 C--O 1.243 0.754 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.03 -23.11 22.04 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 114.725 -3.05 . . . . 25.0 114.679 -171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.45 -39.93 74.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.088 0.947 . . . . 25.0 111.238 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.0 t -74.12 -35.67 41.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 107.875 -1.158 . . . . 25.0 107.875 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.7 80.87 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.007 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.74 -45.49 94.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.799 -0.563 . . . . 25.0 110.985 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -62.25 -44.42 96.58 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.383 -0.527 . . . . 25.0 109.999 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.89 99.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.983 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 9.5 p -68.31 -33.38 74.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.112 -0.367 . . . . 25.0 111.147 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -68.01 -42.39 80.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.661 -0.245 . . . . 25.0 110.745 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -44.03 81.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.983 0.896 . . . . 25.0 110.533 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.77 -42.8 89.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.391 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.96 -39.86 95.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.002 -0.436 . . . . 25.0 111.87 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -67.25 -41.51 85.46 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 119.042 0.837 . . . . 25.0 110.454 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -61.07 -49.3 77.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.01 -28.63 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.698 -0.401 . . . . 25.0 111.187 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -64.8 -40.71 95.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.993 -0.442 . . . . 25.0 110.404 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.05 -19.32 60.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.91 -10.36 56.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.521 0.677 . . . . 25.0 110.792 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -95.08 9.59 38.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 87.0 -161.49 33.14 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.364 -1.095 . . . . 25.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -119.79 -63.78 0.27 Allowed Glycine 0 C--O 1.223 -0.565 0 N-CA-C 117.174 1.63 . . . . 25.0 117.174 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 32.3 m -92.02 -3.88 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -172.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.34 68.18 7.92 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.739 -0.664 . . . . 25.0 110.572 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.212 -0.899 0 CA-C-O 125.453 2.549 . . . . 25.0 110.954 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mtp . . . . . 0 N--CA 1.506 2.354 0 CA-C-O 123.517 1.627 . . . . 25.0 114.735 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -136.73 115.58 12.21 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.926 -1.109 . . . . 25.0 109.348 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -57.99 -37.03 73.48 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -56.02 -33.28 64.76 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.0 -42.96 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -67.43 -31.24 71.29 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.813 -0.755 . . . . 25.0 110.316 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -66.19 -52.03 52.57 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.6 mtp -60.76 -38.64 85.91 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.831 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.45 93.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.959 0.345 . . . . 25.0 110.915 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.23 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.475 0.655 . . . . 25.0 110.219 -178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.39 -40.84 89.9 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.063 -0.517 . . . . 25.0 110.1 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -34.16 77.5 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -64.94 -51.74 60.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.013 0.435 . . . . 25.0 111.793 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -7.99 56.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.9 p -118.42 8.1 12.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.158 -0.339 . . . . 25.0 111.253 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.98 -57.24 12.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 25.0 111.585 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.45 -32.8 47.61 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 C-N-CA 120.924 -0.31 . . . . 25.0 110.364 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -65.45 -46.5 79.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.22 0.533 . . . . 25.0 111.893 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -69.77 -34.35 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -65.01 -43.12 93.53 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 121.156 -0.217 . . . . 25.0 111.322 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -67.3 -37.15 82.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.094 -0.379 . . . . 25.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.14 -40.64 78.11 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.02 -0.672 . . . . 25.0 110.686 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.646 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.31 -36.81 84.92 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.416 -0.802 . . . . 25.0 110.022 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -35.84 72.8 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 112.478 0.547 . . . . 25.0 112.478 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -75.13 -24.61 58.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 119.123 0.874 . . . . 25.0 110.784 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -84.52 -48.15 9.87 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' HE2' HD22 ' A' ' 37' ' ' LEU . 31.6 m-85 -129.58 67.15 78.65 Favored Pre-proline 0 C--O 1.239 0.539 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.66 141.57 73.3 Favored 'Trans proline' 0 CA--C 1.52 -0.214 0 C-N-CA 116.554 -1.831 . . . . 25.0 111.852 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.44 -27.35 2.48 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 115.254 0.862 . . . . 25.0 115.254 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -88.07 86.55 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 118.844 1.322 . . . . 25.0 110.598 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -53.22 -40.46 64.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.529 -0.759 . . . . 25.0 112.591 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.87 -51.7 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.096 0.474 . . . . 25.0 110.416 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -35.45 80.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.354 -0.384 . . . . 25.0 110.717 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -60.64 -47.65 85.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 25.0 110.232 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -63.11 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.004 -0.278 . . . . 25.0 111.336 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.63 -44.42 96.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 23' ' ' ALA . 62.2 tp -64.11 -40.59 96.53 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.076 -0.39 . . . . 25.0 110.905 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.69 -42.62 94.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -61.68 -39.88 92.99 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.681 -0.637 . . . . 25.0 111.93 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.57 -42.75 98.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.21 0.529 . . . . 25.0 109.626 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.28 -39.68 92.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.964 -0.562 . . . . 25.0 111.759 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.83 -42.14 98.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.16 -45.85 58.8 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.855 -0.338 . . . . 25.0 110.888 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -62.08 -39.75 93.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.737 -0.21 . . . . 25.0 110.451 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -60.66 -48.14 83.1 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -57.26 -44.29 83.78 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 119.894 -0.723 . . . . 25.0 112.402 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -64.87 -48.22 75.06 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.277 -0.569 . . . . 25.0 110.675 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -63.73 -40.41 96.66 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.339 -0.225 . . . . 25.0 111.023 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -60.93 -46.01 92.38 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.3 tpp -66.38 -40.34 89.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.541 -0.464 . . . . 25.0 111.256 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.26 -41.25 90.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.031 -0.268 . . . . 25.0 110.704 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -70.14 -44.88 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.454 -0.153 . . . . 25.0 110.773 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.8 -39.63 89.66 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 120.96 0.41 . . . . 25.0 110.05 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -58.32 -44.02 88.47 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.84 -33.52 76.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.67 -49.22 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 121.961 -0.462 . . . . 25.0 110.446 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.83 -29.05 66.22 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.026 -0.67 . . . . 25.0 110.055 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.69 -44.98 80.31 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -42.81 78.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.911 0.386 . . . . 25.0 110.585 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -70.33 -37.17 74.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.173 0.511 . . . . 25.0 110.612 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -61.36 -39.63 91.3 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.456 -0.338 . . . . 25.0 110.091 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.39 -35.16 79.62 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.035 -0.416 . . . . 25.0 111.415 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.94 68.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.789 0.328 . . . . 25.0 110.713 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.7 -31.1 61.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.981 0.419 . . . . 25.0 111.193 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.25 -54.67 3.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.899 0.703 . . . . 25.0 112.899 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 50.85 32.6 7.43 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.222 1.009 . . . . 25.0 110.958 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -135.49 21.62 3.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.395 -0.82 . . . . 25.0 112.131 -174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -133.36 115.48 14.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 124.776 2.227 . . . . 25.0 111.613 -175.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.14 0 CA-C-O 123.589 1.661 . . . . 25.0 115.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.74 68.38 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 114.546 -0.827 . . . . 25.0 111.07 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.0 mtt 52.66 34.64 16.38 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 m -98.3 52.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.653 0.739 . . . . 25.0 109.182 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 68.11 160.97 0.18 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.016 -1.447 . . . . 25.0 114.052 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.9 158.37 37.87 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -152.69 24.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.41 0.624 . . . . 25.0 111.687 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.2 p -90.48 136.44 33.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.6 mp -90.96 111.27 22.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.19 19.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.9 t 38.76 82.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.55 93.0 0.48 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.019 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.4 ptp -108.85 8.97 26.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 25.0 109.648 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.51 -164.05 15.51 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 109.225 -1.55 . . . . 25.0 109.225 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 56.48 32.91 21.6 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.839 0.828 . . . . 25.0 112.118 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -83.3 33.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 12.7 p -89.66 142.32 13.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.51 0.671 . . . . 25.0 109.477 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.48 91.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.357 -2.09 . . . . 25.0 105.357 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.38 -32.18 8.96 Favored Pre-proline 0 CA--C 1.554 1.129 0 N-CA-C 118.124 2.638 . . . . 25.0 118.124 -173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -80.32 61.39 8.2 Favored 'Trans proline' 0 C--N 1.362 1.275 0 C-N-CA 115.397 -2.602 . . . . 25.0 114.391 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.99 74.6 3.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 123.02 0.528 . . . . 25.0 111.054 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.96 121.79 8.19 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 116.789 -1.674 . . . . 25.0 113.204 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.13 147.09 52.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.6 -45.14 0.25 Allowed Pre-proline 0 N--CA 1.47 0.541 0 N-CA-C 115.915 1.821 . . . . 25.0 115.915 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.86 -32.68 5.4 Favored 'Trans proline' 0 C--N 1.355 0.889 1 C-N-CA 113.289 -4.007 . . . . 25.0 115.257 -175.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.1 t -169.95 172.43 6.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 48.8 m -147.52 35.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -124.05 129.59 24.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 114.387 -1.279 . . . . 25.0 109.894 -174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.59 126.5 9.63 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 117.629 -1.114 . . . . 25.0 113.375 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.4 p -125.15 22.61 7.86 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.693 0.759 . . . . 25.0 110.246 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.2 p -67.7 142.11 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.47 174.99 27.66 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.763 -0.935 . . . . 25.0 110.763 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -73.69 147.27 39.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 CA-C-N 119.086 1.443 . . . . 25.0 113.979 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -82.53 -176.51 2.96 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 120.441 0.761 . . . . 25.0 111.766 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.71 165.76 27.53 Favored Glycine 0 C--O 1.23 -0.118 0 N-CA-C 108.669 -1.772 . . . . 25.0 108.669 175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -150.94 178.27 9.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -129.44 169.56 14.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 174.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -166.12 -172.31 33.31 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 109.864 -1.294 . . . . 25.0 109.864 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.81 160.52 27.45 Favored Glycine 0 C--O 1.229 -0.174 0 N-CA-C 109.909 -1.276 . . . . 25.0 109.909 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.6 t -160.58 -152.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.614 -2.736 . . . . 25.0 103.614 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.0 tp 56.19 52.08 10.82 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.052 0.941 . . . . 25.0 112.334 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.43 130.36 56.72 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 58.7 p -152.68 130.59 11.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.924 -0.399 . . . . 25.0 109.924 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.21 123.33 23.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.48 -1.304 . . . . 25.0 107.48 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.2 mp -93.37 115.25 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.627 -0.508 . . . . 25.0 109.627 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.23 82.73 1.97 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.549 1.166 . . . . 25.0 110.21 177.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -128.32 68.6 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.641 -1.618 . . . . 25.0 109.751 -174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.25 14.62 76.78 Favored Glycine 0 N--CA 1.462 0.384 0 CA-C-O 122.427 1.015 . . . . 25.0 112.839 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 56.9 t -77.31 107.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 122.223 -0.575 . . . . 25.0 111.017 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.85 30.3 39.45 Favored Glycine 0 CA--C 1.51 -0.274 0 N-CA-C 116.174 1.23 . . . . 25.0 116.174 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -66.7 140.22 57.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.184 0.516 . . . . 25.0 110.6 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 50.4 tp -144.94 133.47 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.65 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.7 m -121.12 82.28 1.9 Allowed 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.12 25.62 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-O 122.544 1.164 . . . . 25.0 110.047 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.1 pt -133.2 166.5 29.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.362 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.83 107.57 13.3 Favored Pre-proline 0 C--O 1.244 0.807 0 N-CA-C 107.32 -1.363 . . . . 25.0 107.32 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.96 -25.13 23.39 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 116.208 -2.061 . . . . 25.0 115.285 -171.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -71.95 -31.29 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.529 0.604 . . . . 25.0 111.196 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.69 -43.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.04 85.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.719 -0.673 . . . . 25.0 111.555 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.54 -46.95 88.29 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.984 -0.448 . . . . 25.0 109.989 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.39 -37.07 80.03 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.652 -0.419 . . . . 25.0 111.28 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.76 81.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.536 0.208 . . . . 25.0 111.375 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.1 p -68.47 -33.24 73.82 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.911 -0.493 . . . . 25.0 110.319 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -60.6 -45.11 95.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.76 -42.97 94.74 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 120.122 -0.631 . . . . 25.0 110.573 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.78 -41.74 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.895 -0.503 . . . . 25.0 110.025 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.08 -39.73 90.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.348 -0.141 . . . . 25.0 111.167 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.97 -42.12 81.36 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.714 -0.616 . . . . 25.0 111.385 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.73 -47.75 77.13 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.815 -0.553 . . . . 25.0 110.669 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 -31.27 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.717 -0.393 . . . . 25.0 110.545 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.62 -41.2 96.34 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 121.958 -0.464 . . . . 25.0 109.948 175.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.3 -25.72 58.13 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.836 1.051 . . . . 25.0 113.836 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.73 -28.01 69.66 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.629 0.728 . . . . 25.0 109.726 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -78.07 -47.0 19.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.009 -0.996 . . . . 25.0 112.659 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 59.33 -142.13 46.96 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 108.173 -1.971 . . . . 25.0 108.173 -171.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.48 21.12 65.02 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 120.713 -0.756 . . . . 25.0 112.708 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.7 p -70.54 -8.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.422 1.106 . . . . 25.0 112.688 -177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.1 92.04 2.96 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.246 -1.343 . . . . 25.0 107.74 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--O 1.21 -0.986 0 CA-C-O 124.152 1.93 . . . . 25.0 113.223 -179.162 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 114.792 1.405 . . . . 25.0 114.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 63.89 123.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.844 2.057 . . . . 25.0 114.075 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -59.51 -28.64 67.23 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.832 0.678 . . . . 25.0 112.832 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -59.28 -33.29 70.9 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -62.3 -39.3 92.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.811 0.671 . . . . 25.0 112.811 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.12 -31.35 72.15 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.333 -0.547 . . . . 25.0 110.036 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.85 -52.21 42.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.9 mtp -60.02 -38.22 82.05 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 120.705 -0.398 . . . . 25.0 110.951 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.13 93.78 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.856 0.36 . . . . 25.0 111.174 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.97 70.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.695 0.76 . . . . 25.0 109.894 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 mt -66.9 -38.52 86.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.273 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -38.74 80.94 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -62.28 -54.73 36.41 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -15.11 61.97 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.7 p -116.65 12.59 15.01 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 121.852 -0.53 . . . . 25.0 111.679 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.12 -57.19 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 25.0 110.369 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -70.54 -31.7 47.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 116.635 -0.257 . . . . 25.0 110.502 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.442 0.639 . . . . 25.0 111.555 -177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.9 -35.75 69.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.322 -0.622 . . . . 25.0 109.322 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.54 -41.13 96.55 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.24 -44.73 94.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 118.027 0.376 . . . . 25.0 110.365 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -68.24 -40.72 81.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.582 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -34.17 77.55 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.93 -0.308 . . . . 25.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -35.8 76.79 Favored 'General case' 0 C--O 1.208 -1.098 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.05 -35.87 78.96 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.009 0.433 . . . . 25.0 110.815 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -85.52 -37.46 19.63 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -133.37 66.52 74.8 Favored Pre-proline 0 C--O 1.24 0.584 0 CA-C-O 120.807 0.336 . . . . 25.0 110.696 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.86 142.53 82.7 Favored 'Trans proline' 0 CA--C 1.518 -0.283 0 C-N-CA 116.699 -1.734 . . . . 25.0 112.905 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.93 -28.03 1.93 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 115.685 1.034 . . . . 25.0 115.685 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -90.81 88.44 7.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 118.25 1.025 . . . . 25.0 110.868 -173.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.57 -44.02 65.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.6 -49.66 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.76 -0.587 . . . . 25.0 110.885 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -63.54 -33.55 75.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 25.0 111.315 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -63.21 -47.06 84.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.454 -0.572 . . . . 25.0 109.454 176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 118.021 0.373 . . . . 25.0 111.666 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.5 mt -59.21 -43.76 90.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.1 tp -68.42 -41.16 80.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.852 -0.53 . . . . 25.0 110.999 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -59.18 -38.79 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -57.58 -40.8 79.82 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.855 -0.528 . . . . 25.0 111.662 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -65.09 -43.46 92.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 25.0 109.47 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.17 -37.71 88.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.756 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.78 -45.49 89.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.422 0.526 . . . . 25.0 112.422 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.64 -43.63 65.78 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.385 -0.526 . . . . 25.0 110.099 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -59.26 -39.99 84.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.563 -0.455 . . . . 25.0 109.776 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.74 -45.42 93.99 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.596 -0.275 . . . . 25.0 110.526 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.03 -46.33 88.07 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.459 -0.496 . . . . 25.0 111.809 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.3 -46.91 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.852 -0.339 . . . . 25.0 110.658 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -67.94 -37.84 82.12 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 122.401 -0.187 . . . . 25.0 111.219 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.19 -47.3 83.16 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 121.924 -0.485 . . . . 25.0 110.48 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -38.56 89.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.566 -0.454 . . . . 25.0 110.341 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -45.46 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.869 0.366 . . . . 25.0 111.004 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -73.05 -42.71 62.82 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.347 -0.22 . . . . 25.0 111.164 -177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 tp -61.17 -37.46 82.99 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.787 0.327 . . . . 25.0 110.565 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -58.74 -44.51 90.55 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -64.53 -32.2 73.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.09 -50.85 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 122.113 -0.367 . . . . 25.0 110.767 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -69.41 -28.94 66.59 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.609 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.3 -44.76 74.72 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.834 -0.621 . . . . 25.0 109.903 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.03 80.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.677 0.275 . . . . 25.0 110.302 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -64.64 -39.53 93.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.034 0.445 . . . . 25.0 110.408 176.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 25.0 110.626 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.96 -36.71 82.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.998 -0.439 . . . . 25.0 110.915 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.43 65.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.398 0.148 . . . . 25.0 111.398 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -42.32 30.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.163 0.506 . . . . 25.0 110.453 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.56 -49.12 19.56 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 53.18 20.18 1.74 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.399 1.48 . . . . 25.0 113.518 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -88.03 12.53 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.477 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.94 121.39 12.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 123.346 1.546 . . . . 25.0 113.301 -179.088 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 CA-C-O 124.46 2.145 . . . . 25.0 113.679 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -81.18 60.43 4.31 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 112.937 -1.631 . . . . 25.0 110.952 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 65.9 mtt -82.04 81.15 8.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.59 116.2 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 -178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -105.57 156.05 18.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.48 150.85 49.98 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.72 167.46 29.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -145.93 174.5 11.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mp -125.4 156.02 39.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.98 -14.46 60.23 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.659 0.266 . . . . 25.0 111.099 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 t 54.82 28.59 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 122.432 1.111 . . . . 25.0 111.836 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.66 66.85 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.803 -1.09 . . . . 25.0 109.939 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 28.2 ptm -110.18 154.09 23.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.38 62.53 0.01 OUTLIER Glycine 0 C--O 1.224 -0.512 0 C-N-CA 120.349 -0.929 . . . . 25.0 112.377 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.21 43.53 0.54 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.82 0.848 . . . . 25.0 111.243 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 59.5 p -86.95 44.99 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.324 0.65 . . . . 25.0 112.611 -173.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.29 129.31 37.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 106.821 -1.548 . . . . 25.0 106.821 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.44 126.49 65.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.949 0.404 . . . . 25.0 110.634 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 97.82 -60.89 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.688 0 N-CA-C 118.037 2.606 . . . . 25.0 118.037 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.72 140.47 23.6 Favored 'Trans proline' 0 C--N 1.356 0.944 1 C-N-CA 112.183 -4.745 . . . . 25.0 114.578 -174.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.33 139.0 11.93 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.81 152.52 41.85 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 116.304 -1.998 . . . . 25.0 111.042 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 99.4 mt -109.0 141.23 41.42 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 48.8 tttp 100.67 -48.63 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.27 0 C-N-CA 128.659 2.784 . . . . 25.0 115.485 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.93 163.16 39.15 Favored 'Trans proline' 0 C--N 1.356 0.948 1 C-N-CA 112.033 -4.844 . . . . 25.0 109.599 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -129.13 -4.96 4.96 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.776 0.658 . . . . 25.0 112.776 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.7 p -170.03 165.85 9.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 105.625 -1.991 . . . . 25.0 105.625 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -141.94 126.31 10.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.3 123.25 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 117.552 -1.165 . . . . 25.0 114.736 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 42.8 p -120.39 100.85 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -155.52 172.1 18.81 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -165.49 171.51 40.76 Favored Glycine 0 C--O 1.236 0.234 0 N-CA-C 109.753 -1.339 . . . . 25.0 109.753 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.9 158.29 38.7 Favored 'Trans proline' 0 CA--C 1.536 0.625 0 CA-C-N 119.249 1.524 . . . . 25.0 113.014 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -71.51 151.88 59.43 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.556 -1.163 . . . . 25.0 111.659 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.33 49.12 0.5 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 120.862 -0.685 . . . . 25.0 114.375 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.65 122.56 17.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.254 0.527 . . . . 25.0 110.03 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -166.35 170.54 12.96 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.7 -1.593 . . . . 25.0 106.7 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.03 -151.8 18.26 Favored Glycine 0 C--O 1.221 -0.673 0 CA-C-N 117.827 0.285 . . . . 25.0 112.435 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 87.46 1.38 83.62 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 115.53 0.972 . . . . 25.0 115.53 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -97.25 93.26 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.044 -0.68 . . . . 25.0 109.838 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.53 35.22 4.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.174 -0.921 . . . . 25.0 110.924 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 82.8 mt -89.73 156.18 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.925 -0.58 . . . . 25.0 111.053 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 84.3 p -153.48 170.09 21.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.46 132.11 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.2 mm -104.01 125.58 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 23.1 p -117.01 75.19 0.95 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 123.213 1.483 . . . . 25.0 110.555 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -139.61 28.88 2.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 111.736 -2.484 . . . . 25.0 109.907 -175.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -130.5 52.22 0.84 Allowed Glycine 0 C--O 1.226 -0.368 0 CA-C-N 115.481 -0.781 . . . . 25.0 113.214 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.35 150.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -132.35 -114.66 1.59 Allowed Glycine 0 C--O 1.223 -0.576 0 N-CA-C 109.973 -1.251 . . . . 25.0 109.973 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.75 -38.25 86.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.803 0.335 . . . . 25.0 111.628 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp 65.71 -52.6 0.38 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.646 2.091 . . . . 25.0 116.646 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 22.7 m 48.05 56.3 7.49 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.218 1.192 . . . . 25.0 114.218 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.13 19.95 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 CA-C-O 122.306 1.051 . . . . 25.0 110.538 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.2 pt -140.04 167.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 123.64 0.776 . . . . 25.0 109.306 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -83.77 110.2 23.64 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 105.407 -2.072 . . . . 25.0 105.407 167.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.41 -24.65 11.99 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 115.762 -2.359 . . . . 25.0 114.935 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.44 -43.31 50.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.347 0.594 . . . . 25.0 111.104 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.78 -37.62 80.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.212 -1.403 . . . . 25.0 107.212 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.59 86.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.502 -0.479 . . . . 25.0 110.436 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.43 -45.58 86.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 25.0 110.855 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -64.43 -39.16 93.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.933 -0.479 . . . . 25.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.82 93.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.34 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.7 -33.27 66.36 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.947 -0.701 . . . . 25.0 111.105 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -57.43 -47.46 81.72 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.26 -0.644 . . . . 25.0 109.26 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.46 -42.24 98.47 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.396 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.97 -43.26 97.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 O-C-N 122.13 -0.356 . . . . 25.0 111.565 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -37.63 88.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.442 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.53 -41.55 69.01 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.628 -0.67 . . . . 25.0 112.468 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.71 -45.48 92.56 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.044 -0.41 . . . . 25.0 110.602 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.15 -29.31 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.03 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.2 -33.58 75.67 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.894 -0.504 . . . . 25.0 110.261 176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.3 mt -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.145 1.165 . . . . 25.0 114.145 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.09 -19.48 66.01 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.19 0.995 . . . . 25.0 109.229 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -92.58 29.57 1.71 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.705 -1.134 . . . . 25.0 109.912 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.67 -42.47 3.12 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.088 -0.505 . . . . 25.0 113.801 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 85.3 15.99 65.46 Favored Glycine 0 C--O 1.226 -0.403 0 N-CA-C 108.69 -1.764 . . . . 25.0 108.69 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.85 56.93 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.708 0.766 . . . . 25.0 110.504 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.53 41.24 32.08 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.352 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 125.609 2.623 . . . . 25.0 112.234 -179.072 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.508 2.425 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -61.93 -24.88 67.25 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.785 -1.197 . . . . 25.0 112.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -61.42 -36.13 79.47 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 120.676 0.275 . . . . 25.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.35 -33.33 69.43 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.031 -0.418 . . . . 25.0 111.546 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -59.38 -44.25 92.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.609 0.226 . . . . 25.0 111.609 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -69.24 -31.27 69.72 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.62 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm -68.29 -53.25 30.06 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 N-CA-C 108.83 -0.804 . . . . 25.0 108.83 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.88 -37.02 80.72 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.488 -0.485 . . . . 25.0 110.95 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.94 98.82 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.757 -0.377 . . . . 25.0 110.549 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.95 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.853 0.835 . . . . 25.0 110.547 -177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.37 -39.28 81.83 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.705 -0.679 . . . . 25.0 110.386 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.95 -37.61 85.38 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.7 m -59.81 -50.98 71.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.75 -16.15 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.52 0.934 . . . . 25.0 113.52 -174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.5 p -116.33 11.91 15.16 Favored 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 121.764 -0.585 . . . . 25.0 112.258 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.6 18.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 25.0 110.262 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.83 -30.31 41.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.73 0.3 . . . . 25.0 110.645 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -65.93 -45.77 80.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.632 -0.668 . . . . 25.0 111.133 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -74.23 -35.82 63.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.233 -0.44 . . . . 25.0 109.939 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.87 -42.52 97.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.595 0.22 . . . . 25.0 111.595 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 25.0 110.852 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -69.03 -39.49 79.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.243 0.544 . . . . 25.0 111.796 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.888 -0.507 . . . . 25.0 110.377 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.79 72.96 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.02 -38.63 79.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.892 0.377 . . . . 25.0 110.792 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -82.38 -40.42 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -130.36 65.78 76.67 Favored Pre-proline 0 C--O 1.24 0.555 0 CA-C-O 120.847 0.356 . . . . 25.0 111.081 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.41 142.36 78.37 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 116.173 -2.085 . . . . 25.0 112.261 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.13 -27.54 2.03 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -89.29 85.1 6.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 118.422 1.111 . . . . 25.0 109.709 -175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -55.75 -36.53 67.41 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.1 -51.1 61.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.802 -0.561 . . . . 25.0 110.666 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -62.99 -35.01 78.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.023 0.439 . . . . 25.0 110.597 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -60.34 -48.98 79.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.941 -0.572 . . . . 25.0 110.051 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -63.49 -41.13 98.56 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.15 -0.344 . . . . 25.0 111.549 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.9 mt -59.85 -44.5 94.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.4 tp -65.25 -41.89 93.84 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.747 -0.596 . . . . 25.0 110.88 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.8 mt -59.57 -40.54 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.934 -0.479 . . . . 25.0 109.993 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -58.85 -42.07 88.49 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.692 -0.63 . . . . 25.0 111.316 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -65.74 -43.1 90.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.036 0.445 . . . . 25.0 110.041 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.08 -39.3 94.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.721 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.59 -43.1 94.92 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.47 -45.49 65.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.375 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -60.81 -37.95 83.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.904 0.383 . . . . 25.0 110.249 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.87 -44.71 96.68 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.66 -44.05 94.93 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.889 -0.324 . . . . 25.0 111.605 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.31 -50.44 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.661 0.267 . . . . 25.0 110.674 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -63.75 -40.92 97.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.75 -0.204 . . . . 25.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -64.05 -48.13 77.46 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.129 -0.357 . . . . 25.0 111.582 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.75 93.41 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.484 -0.486 . . . . 25.0 110.372 -177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -64.44 -44.54 90.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.167 0.508 . . . . 25.0 110.487 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -70.52 -42.42 71.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.163 -0.336 . . . . 25.0 111.231 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.52 -36.93 84.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.989 -0.375 . . . . 25.0 109.989 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -58.47 -44.22 89.2 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.23 -32.26 73.77 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.58 -49.28 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 122.128 -0.358 . . . . 25.0 110.563 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.51 -29.43 65.93 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.465 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.24 -43.99 85.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.489 -0.559 . . . . 25.0 109.489 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.48 77.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.429 -0.35 . . . . 25.0 110.54 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -68.48 -35.8 78.05 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.999 0.428 . . . . 25.0 110.751 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -39.98 94.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.954 0.407 . . . . 25.0 110.24 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -68.86 -32.52 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.224 -0.298 . . . . 25.0 111.056 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' HE21 ' A' ' 66' ' ' GLN . . . -68.68 -30.3 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.226 -0.296 . . . . 25.0 110.759 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.53 58.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.788 0.328 . . . . 25.0 110.823 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -89.32 -54.23 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' A' ' 63' ' ' ALA . 80.7 mm-40 52.12 22.79 2.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.416 1.086 . . . . 25.0 113.067 -175.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -101.2 22.96 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.499 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 56.73 38.54 29.59 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 123.19 1.471 . . . . 25.0 108.19 -172.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 . . . . . 0 C--O 1.215 -0.739 0 CA-C-O 123.968 1.842 . . . . 25.0 109.538 -177.295 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 CA-C-O 122.657 1.143 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.34 37.56 3.53 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.845 -0.797 . . . . 25.0 109.962 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.8 mtp -131.75 137.83 48.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 m -146.21 154.7 12.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 106.738 -1.579 . . . . 25.0 106.738 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -130.66 134.02 46.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.448 -0.945 . . . . 25.0 108.448 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.93 92.05 2.41 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.013 0.435 . . . . 25.0 111.614 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 -72.7 109.52 6.38 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.82 59.77 1.05 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.331 0.586 . . . . 25.0 110.94 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.07 163.83 34.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.09 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.98 139.38 29.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -91.39 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.794 0.807 . . . . 25.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.44 79.21 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.076 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 14.1 mmt -126.87 143.58 51.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 153.31 170.19 19.23 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 107.333 -2.307 . . . . 25.0 107.333 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -69.58 -34.1 73.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.952 0.876 . . . . 25.0 111.667 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 57.3 p 41.49 48.52 3.41 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.89 113.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.977 -175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 48.5 t -125.97 87.17 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -55.66 -43.83 99.36 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.04 18.71 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 115.615 -2.456 . . . . 25.0 115.558 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.03 117.9 33.99 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 121.799 -0.563 . . . . 25.0 111.071 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.83 146.69 38.29 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 116.126 -2.116 . . . . 25.0 112.458 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -91.33 146.52 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.253 10.1 pttt 85.56 -15.33 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 121.434 3.864 . . . . 25.0 121.434 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -81.26 -160.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 113.574 -3.817 . . . . 25.0 109.814 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 1.3 m 63.38 40.89 8.08 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.841 0.829 . . . . 25.0 111.594 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 13.8 m -67.6 132.84 48.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -113.34 89.47 14.82 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 120.964 0.411 . . . . 25.0 110.737 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -73.51 142.38 32.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 116.112 -2.125 . . . . 25.0 111.524 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -153.07 173.65 15.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -146.63 157.05 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -81.14 164.8 46.39 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.717 -0.754 . . . . 25.0 112.498 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.19 164.43 33.01 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-N 118.447 1.124 . . . . 25.0 112.238 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -70.17 163.58 38.07 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 117.662 -1.092 . . . . 25.0 111.969 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.14 -151.46 6.01 Favored Glycine 0 C--O 1.226 -0.406 0 N-CA-C 110.983 -0.847 . . . . 25.0 110.983 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.2 33.42 22.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.0 0.92 . . . . 25.0 112.542 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -127.11 96.9 4.75 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 164.81 -178.96 39.74 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 110.12 -1.192 . . . . 25.0 110.12 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.42 -178.33 47.73 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 108.412 -1.875 . . . . 25.0 108.412 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.0 t -160.13 145.17 14.93 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 103.73 -2.693 . . . . 25.0 103.73 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -122.88 11.9 9.7 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.966 -1.015 . . . . 25.0 108.632 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.2 mt 58.67 -164.82 0.19 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 113.527 -1.67 . . . . 25.0 111.384 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 34.3 t -155.03 162.63 41.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.68 -2.341 . . . . 25.0 104.68 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.75 148.6 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.39 137.89 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 107.713 -1.218 . . . . 25.0 107.713 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -154.55 128.74 8.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 100.544 -3.873 . . . . 25.0 100.544 173.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -141.66 30.27 1.7 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 113.403 -1.726 . . . . 25.0 107.82 -174.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.38 52.31 0.81 Allowed Glycine 0 C--O 1.229 -0.166 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.283 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.36 128.28 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 128.24 30.12 0.75 Allowed Glycine 0 N--CA 1.465 0.612 0 CA-C-O 122.569 1.094 . . . . 25.0 113.957 176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -73.96 169.96 16.37 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.037 -1.081 . . . . 25.0 113.663 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 tp 65.4 112.55 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 116.915 2.191 . . . . 25.0 116.915 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.0 m -100.05 86.74 3.31 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 112.862 -1.972 . . . . 25.0 108.154 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 p -88.19 32.6 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.078 0 CA-C-O 122.885 1.326 . . . . 25.0 109.285 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.6 pt -141.43 168.82 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 114.557 -1.202 . . . . 25.0 108.043 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -85.17 104.73 5.23 Favored Pre-proline 0 C--O 1.241 0.656 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.65 -25.94 20.17 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 115.142 -2.772 . . . . 25.0 114.545 -169.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.23 -42.72 75.29 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.97 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.29 -38.2 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.28 95.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.33 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.41 -41.38 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.031 0.378 . . . . 25.0 110.944 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.88 -40.23 92.24 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.92 82.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.5 p -75.96 -33.37 59.79 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.366 -0.933 . . . . 25.0 111.088 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -58.6 -44.43 89.89 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -56.62 -42.84 79.5 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.196 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.17 -44.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.271 -0.268 . . . . 25.0 111.714 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -36.99 85.94 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.327 -0.549 . . . . 25.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -68.77 -41.82 78.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.31 -0.868 . . . . 25.0 111.672 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -67.94 -37.13 81.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.35 -34.52 62.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 119.985 -0.686 . . . . 25.0 109.454 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -32.73 74.52 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.436 -0.79 . . . . 25.0 110.137 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.84 -32.3 46.07 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.73 -18.01 62.8 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -77.99 4.67 11.58 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.357 -0.838 . . . . 25.0 111.243 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 105.06 -29.05 12.33 Favored Glycine 0 C--O 1.223 -0.551 0 N-CA-C 112.436 -0.266 . . . . 25.0 112.436 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.4 10.72 58.02 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 115.015 0.766 . . . . 25.0 115.015 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 19.1 m -101.97 26.0 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.537 0.684 . . . . 25.0 110.981 -177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -77.54 75.93 4.09 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.673 0.749 . . . . 25.0 111.276 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--O 1.21 -1.011 0 CA-C-O 124.601 2.143 . . . . 25.0 111.589 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 122.918 1.342 . . . . 25.0 114.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 56.9 21.64 6.33 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.241 1.417 . . . . 25.0 113.621 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -60.22 -24.26 64.7 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.532 0.567 . . . . 25.0 112.532 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -68.82 -33.34 73.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.756 -0.59 . . . . 25.0 111.937 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.37 -43.44 98.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 -173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.32 -31.33 72.4 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.681 -0.408 . . . . 25.0 110.685 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.29 -53.13 43.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.903 0 N-CA-C 108.482 -0.932 . . . . 25.0 108.482 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.5 mtp -60.85 -34.79 75.12 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.953 -0.299 . . . . 25.0 111.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.03 85.0 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.958 0.408 . . . . 25.0 110.636 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.47 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.504 0.669 . . . . 25.0 110.018 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.78 -40.75 95.78 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.87 -38.39 78.68 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.21 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -60.58 -47.94 83.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -86.49 -7.75 58.14 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.792 1.034 . . . . 25.0 113.792 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -117.42 5.2 12.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.879 -0.513 . . . . 25.0 112.309 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.93 -58.38 7.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.95 0.405 . . . . 25.0 111.484 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.59 -31.45 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 121.057 -0.257 . . . . 25.0 110.466 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.52 -47.17 73.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.382 0.611 . . . . 25.0 111.185 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -70.3 -35.83 73.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.57 -44.76 93.15 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 121.434 -0.106 . . . . 25.0 111.229 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.99 -40.47 95.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.732 0.301 . . . . 25.0 110.984 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -66.54 -44.17 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.901 -0.72 . . . . 25.0 110.809 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.22 -34.51 77.82 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.905 -0.497 . . . . 25.0 110.692 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.51 73.33 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-O 119.563 -0.255 . . . . 25.0 111.678 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -77.36 -26.75 52.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.325 -0.95 . . . . 25.0 111.628 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -84.73 -39.8 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HE2' HD22 ' A' ' 37' ' ' LEU . 63.4 m-85 -131.41 68.06 80.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 25.0 110.143 -178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.16 142.34 66.97 Favored 'Trans proline' 0 CA--C 1.519 -0.232 0 C-N-CA 116.184 -2.077 . . . . 25.0 112.532 -175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.66 -26.19 1.68 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 115.893 1.117 . . . . 25.0 115.893 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.76 87.38 7.22 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.28 1.04 . . . . 25.0 110.658 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -50.7 -46.04 58.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.59 -48.97 77.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.917 -0.49 . . . . 25.0 111.074 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.44 -34.1 77.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 25.0 111.481 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.86 -46.26 85.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -61.85 -42.48 99.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 122.262 -0.274 . . . . 25.0 111.06 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.18 -45.49 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 110.301 -0.259 . . . . 25.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' A' ' 23' ' ' ALA . 45.3 tp -67.12 -39.84 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.96 -0.463 . . . . 25.0 110.862 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.4 -40.03 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -63.08 -41.61 99.46 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.46 -0.775 . . . . 25.0 111.485 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.35 -41.55 98.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.19 -41.18 94.83 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.389 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.36 -43.27 99.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 118.097 0.408 . . . . 25.0 111.323 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -69.73 -44.21 70.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.764 0.316 . . . . 25.0 110.45 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -64.32 -40.5 96.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -61.44 -47.87 83.74 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.071 -0.344 . . . . 25.0 110.071 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.54 -43.97 89.45 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.138 -0.625 . . . . 25.0 111.641 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.13 -47.38 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.461 -0.496 . . . . 25.0 110.806 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -67.14 -40.57 86.78 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.016 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -61.3 -47.96 83.58 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.5 tpp -67.37 -40.26 85.73 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.671 -0.412 . . . . 25.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.77 -44.02 97.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.764 0.316 . . . . 25.0 110.192 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.3 -46.89 66.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.604 -0.271 . . . . 25.0 110.401 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.83 -39.25 84.45 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 122.863 0.465 . . . . 25.0 110.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.85 -40.75 94.03 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.85 -30.73 69.31 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.671 -0.412 . . . . 25.0 111.508 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.76 -47.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 121.918 -0.489 . . . . 25.0 110.876 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.85 -30.67 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.066 -0.654 . . . . 25.0 109.447 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.6 tp -66.43 -41.86 88.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.129 -0.487 . . . . 25.0 109.992 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.89 95.57 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.407 -0.59 . . . . 25.0 109.407 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -64.68 -41.94 95.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 25.0 110.856 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.54 -41.55 98.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 25.0 111.296 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -68.6 -33.18 73.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.83 -0.544 . . . . 25.0 111.246 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.31 -25.01 62.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.503 0.192 . . . . 25.0 111.147 177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.68 -34.35 53.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.42 -56.47 4.52 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 49.05 43.81 22.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -116.4 -126.78 0.29 Allowed 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 174.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -120.32 48.05 1.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.022 1.391 . . . . 25.0 108.037 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 123.988 1.852 . . . . 25.0 110.346 -177.675 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.958 0 CA-C-O 124.687 2.27 . . . . 25.0 113.812 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.06 15.53 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 112.922 -1.639 . . . . 25.0 109.292 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mpp? 54.72 52.28 12.41 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 m -87.33 30.85 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.488 0.661 . . . . 25.0 112.176 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 61.54 -166.0 0.22 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.39 1.076 . . . . 25.0 112.451 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.09 166.43 33.6 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.656 -1.609 . . . . 25.0 106.656 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 57.5 mmm-85 -125.53 111.51 15.14 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.8 m -78.84 157.87 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.709 -0.678 . . . . 25.0 110.237 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.4 mp -90.02 132.94 35.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.57 46.66 1.18 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.74 54.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.54 0.686 . . . . 25.0 112.015 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.06 -27.1 63.4 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.981 -0.554 . . . . 25.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 61.9 mtm 59.16 -124.38 1.27 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.561 0.948 . . . . 25.0 113.561 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.41 -134.16 1.95 Allowed Glycine 0 C--O 1.217 -0.938 0 CA-C-O 119.203 -0.776 . . . . 25.0 111.454 -173.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 60.59 89.31 0.07 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.556 1.17 . . . . 25.0 112.001 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 77.2 p -77.61 20.41 0.32 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -174.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.1 p -105.16 122.58 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.7 t -79.44 102.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.723 0.773 . . . . 25.0 112.373 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 43.99 51.1 7.41 Favored Pre-proline 0 CA--C 1.555 1.173 0 N-CA-C 117.083 2.253 . . . . 25.0 117.083 171.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -79.35 -24.86 6.15 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 115.377 -2.615 . . . . 25.0 114.647 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -162.37 149.99 11.62 Favored Pre-proline 0 C--O 1.236 0.369 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -76.27 148.34 30.41 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 117.671 -1.086 . . . . 25.0 112.671 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.5 170.79 21.62 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 94.68 -44.3 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.759 1 N-CA-C 121.918 4.044 . . . . 25.0 121.918 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 122.7 8.81 Favored 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 112.788 -4.341 . . . . 25.0 115.079 -173.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 46.1 p -137.27 6.52 2.81 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.1 p -153.28 151.01 29.53 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.874 -0.517 . . . . 25.0 111.658 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.2 107.98 60.86 Favored Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 123.629 0.58 . . . . 25.0 109.907 177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.83 156.45 27.28 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 117.5 -1.2 . . . . 25.0 113.031 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.7 t -124.56 17.29 8.86 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.936 0.874 . . . . 25.0 109.285 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 t -78.12 147.48 34.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.655 . . . . 25.0 110.5 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.64 51.58 Favored Glycine 0 C--O 1.24 0.485 0 N-CA-C 109.737 -1.345 . . . . 25.0 109.737 173.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -68.92 158.87 56.19 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 CA-C-N 118.74 1.27 . . . . 25.0 111.83 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -70.27 155.34 64.48 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 117.948 -0.902 . . . . 25.0 114.097 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -175.57 -179.4 46.06 Favored Glycine 0 C--O 1.226 -0.37 0 N-CA-C 106.486 -2.646 . . . . 25.0 106.486 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -134.09 -35.44 0.94 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.546 1.173 . . . . 25.0 113.978 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 37.4 t30 48.47 41.33 16.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.96 149.01 48.78 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.845 -0.902 . . . . 25.0 110.845 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.57 -147.39 9.46 Favored Glycine 0 C--O 1.224 -0.51 0 C-N-CA 120.848 -0.691 . . . . 25.0 111.466 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.1 t 61.83 38.2 14.9 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.751 1.019 . . . . 25.0 113.751 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -125.23 43.22 3.1 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.27 157.14 46.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.611 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 42.7 t -153.36 157.21 39.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 104.637 -2.357 . . . . 25.0 104.637 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.36 129.92 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 48.2 mm -87.73 123.1 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.34 87.71 2.8 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.495 1.14 . . . . 25.0 110.513 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -136.78 25.05 3.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.575 -1.648 . . . . 25.0 110.603 -173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.9 31.9 6.25 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.873 1.109 . . . . 25.0 115.873 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.9 t -130.01 129.72 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 118.034 0.917 . . . . 25.0 109.175 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -170.06 44.96 0.2 Allowed Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.035 -0.602 . . . . 25.0 113.38 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.7 151.22 40.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.311 -0.523 . . . . 25.0 110.253 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 52.3 tp -136.64 -56.39 0.74 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.814 0.816 . . . . 25.0 112.875 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.5 m -118.55 85.75 2.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.1 -0.954 . . . . 25.0 110.843 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.89 5.38 4.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.038 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.2 pt -142.35 169.5 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.183 -0.917 . . . . 25.0 111.131 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -88.39 109.81 31.66 Favored Pre-proline 0 C--O 1.244 0.804 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.51 -27.13 16.03 Favored 'Trans proline' 0 C--N 1.345 0.392 0 N-CA-C 116.436 1.668 . . . . 25.0 116.436 -174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.51 -33.28 60.74 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 119.746 1.157 . . . . 25.0 110.08 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 74.0 t -67.88 -43.55 85.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.02 79.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.88 0.372 . . . . 25.0 111.266 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.17 -47.04 88.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.07 -0.394 . . . . 25.0 110.224 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.52 -37.22 74.07 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.533 -0.467 . . . . 25.0 111.383 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.16 92.74 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.032 -0.267 . . . . 25.0 111.257 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.51 -33.31 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.735 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -60.12 -48.12 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -63.02 -41.76 99.63 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.648 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.45 -40.95 90.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 121.91 -0.494 . . . . 25.0 110.762 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.248 -0.181 . . . . 25.0 110.576 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -71.25 -39.47 71.59 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.725 -0.609 . . . . 25.0 111.217 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.6 -43.32 99.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 122.806 0.442 . . . . 25.0 111.908 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.21 -32.39 47.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.398 -0.521 . . . . 25.0 109.605 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -66.52 -28.44 68.55 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.63 -0.669 . . . . 25.0 110.309 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.2 mp -78.88 -39.35 35.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.97 -17.48 64.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.388 0.613 . . . . 25.0 109.355 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -77.7 11.65 2.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.699 0.8 . . . . 25.0 112.935 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 99.36 11.32 45.38 Favored Glycine 0 C--O 1.224 -0.511 0 O-C-N 121.839 -0.538 . . . . 25.0 114.307 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.32 28.63 35.86 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 121.152 -0.547 . . . . 25.0 112.108 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 33.65 63.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -73.76 72.2 1.5 Allowed 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.319 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.527 2.108 . . . . 25.0 111.761 -177.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -61.95 -21.01 64.44 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.243 1.017 . . . . 25.0 111.776 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -59.59 -27.05 65.94 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.489 -0.323 . . . . 25.0 111.386 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -59.86 -33.28 71.6 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.857 -0.527 . . . . 25.0 111.956 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.25 -44.7 92.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -68.47 -31.29 70.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.331 -0.548 . . . . 25.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.53 -51.3 69.55 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.6 mtp -61.47 -34.8 76.06 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.525 -0.47 . . . . 25.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.49 92.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.857 0.361 . . . . 25.0 110.61 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.49 69.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.675 0.75 . . . . 25.0 110.096 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.9 -40.08 91.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.966 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.35 -38.8 88.25 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.377 -0.374 . . . . 25.0 110.176 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.1 m -63.14 -48.84 76.74 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 25.0 112.507 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -10.21 59.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -119.64 9.33 11.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 121.831 -0.543 . . . . 25.0 111.978 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.09 -57.59 9.91 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.276 0.36 . . . . 25.0 110.38 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.2 -33.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 122.238 -0.289 . . . . 25.0 110.928 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.71 -47.28 81.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.418 0.627 . . . . 25.0 111.883 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -77.25 -32.75 55.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.009 -0.541 . . . . 25.0 109.608 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -64.54 -42.28 95.83 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.322 -0.236 . . . . 25.0 111.441 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.4 -41.26 98.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -67.91 -40.27 83.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.45 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.45 75.55 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.044 -0.41 . . . . 25.0 110.305 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.26 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 116.685 -0.234 . . . . 25.0 110.461 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.47 -42.61 71.21 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 120.481 -0.487 . . . . 25.0 110.337 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -80.91 -38.26 28.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.717 -0.793 . . . . 25.0 112.921 -172.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -132.99 65.74 74.64 Favored Pre-proline 0 C--O 1.239 0.54 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.372 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 139.96 68.74 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 C-N-CA 116.225 -2.05 . . . . 25.0 112.607 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.09 -22.41 1.98 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 116.089 1.196 . . . . 25.0 116.089 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.92 84.03 4.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 119.087 1.443 . . . . 25.0 109.195 -174.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -50.61 -41.31 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 -176.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.17 -47.24 74.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.631 -0.668 . . . . 25.0 110.144 -176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -61.97 -35.22 77.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.248 -0.433 . . . . 25.0 111.5 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -63.13 -45.52 91.58 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -64.44 -40.14 95.17 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 122.12 -0.363 . . . . 25.0 111.52 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.56 -45.27 90.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.31 -43.56 90.66 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.018 -0.426 . . . . 25.0 110.672 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -60.45 -39.24 80.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.419 -0.586 . . . . 25.0 109.419 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -62.37 -42.98 99.84 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.558 -0.714 . . . . 25.0 111.586 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -64.95 -43.18 93.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.35 -40.28 96.85 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.87 -0.604 . . . . 25.0 111.44 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.07 -37.13 80.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.521 0.601 . . . . 25.0 112.458 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.74 -46.33 69.17 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.002 -0.679 . . . . 25.0 109.204 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -62.11 -38.84 90.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.214 0.53 . . . . 25.0 110.349 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -59.28 -49.65 77.0 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.96 -44.45 94.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.077 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -58.75 -51.24 70.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.847 0.294 . . . . 25.0 110.559 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.92 -38.4 82.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.682 0.277 . . . . 25.0 111.289 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -60.01 -47.91 83.88 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 110.279 -0.267 . . . . 25.0 110.279 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.0 tpp -68.13 -40.15 82.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.845 -0.342 . . . . 25.0 111.31 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.92 -44.28 97.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.95 0.405 . . . . 25.0 110.29 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -76.12 -39.58 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.617 -0.433 . . . . 25.0 111.916 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.8 tp -61.08 -39.45 89.97 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.045 0.45 . . . . 25.0 109.961 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -58.69 -42.45 88.56 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -64.09 -34.12 77.32 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.064 0.394 . . . . 25.0 112.064 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.49 -47.84 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 122.04 -0.412 . . . . 25.0 110.772 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -71.22 -29.02 64.62 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.238 -0.585 . . . . 25.0 110.411 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.15 -44.11 76.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.906 -0.588 . . . . 25.0 109.89 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.57 82.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.937 -0.394 . . . . 25.0 109.937 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.24 -39.42 92.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.803 0.335 . . . . 25.0 110.955 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -60.68 -43.12 98.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.73 0.3 . . . . 25.0 110.259 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.28 -32.63 66.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.273 -0.267 . . . . 25.0 111.497 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.432 ' HA ' HE21 ' A' ' 66' ' ' GLN . . . -66.18 -33.16 75.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.336 -0.228 . . . . 25.0 110.756 176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.3 -39.43 62.9 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.168 0.509 . . . . 25.0 110.351 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -75.21 -53.31 9.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' A' ' 63' ' ' ALA . 89.3 mm-40 44.92 49.04 9.29 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 25.0 111.951 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 18.95 2.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.805 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.41 107.44 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 124.999 2.333 . . . . 25.0 110.585 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.997 0 CA-C-O 124.278 2.043 . . . . 25.0 113.818 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.12 44.55 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 106.443 -1.688 . . . . 25.0 106.443 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.5 tpp -154.33 152.09 29.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.3 p -142.56 146.18 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 103.557 -2.757 . . . . 25.0 103.557 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -129.26 157.01 43.06 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 -173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.89 8.74 6.3 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 59.55 22.54 11.16 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -80.73 57.58 3.02 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 59.1 tp -75.96 107.79 8.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.407 0.622 . . . . 25.0 111.202 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.05 -3.99 47.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 -177.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.25 104.02 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-O 121.382 0.61 . . . . 25.0 111.696 -177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.0 177.32 11.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.1 mtt -129.76 123.43 30.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.87 -62.25 4.44 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.435 -0.666 . . . . 25.0 111.435 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -82.05 50.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 123.677 0.791 . . . . 25.0 110.483 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.6 p -86.92 12.15 11.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.496 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -85.64 135.28 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.406 ' O ' ' HD2' ' B' ' 120' ' ' PRO . 17.3 m -127.44 162.46 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 101.209 -3.626 . . . . 25.0 101.209 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.302 1.9 mp0 80.32 -83.65 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 127.204 2.201 . . . . 25.0 115.591 -175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' B' ' 118' ' ' VAL . 40.9 Cg_endo -82.78 13.59 2.56 Favored 'Trans proline' 0 C--N 1.366 1.448 1 C-N-CA 112.499 -4.534 . . . . 25.0 114.759 179.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.63 85.14 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 117.137 2.273 . . . . 25.0 117.137 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.07 151.93 56.23 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.522 -4.518 . . . . 25.0 114.2 -173.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.32 149.26 42.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.543 -1.208 . . . . 25.0 108.437 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.01 -33.82 10.65 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 119.158 3.022 . . . . 25.0 119.158 -175.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.19 107.69 2.49 Favored 'Trans proline' 0 C--N 1.36 1.14 1 C-N-CA 112.265 -4.69 . . . . 25.0 113.163 177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.2 t -113.14 10.56 18.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 122.048 0.928 . . . . 25.0 110.263 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.1 p -83.62 47.35 1.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 110.73 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -79.33 141.65 57.61 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.978 -0.556 . . . . 25.0 109.84 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.67 132.77 20.88 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 116.238 -2.042 . . . . 25.0 112.24 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.6 t -132.6 15.24 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.628 0.728 . . . . 25.0 110.464 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.4 m -82.13 12.81 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.87 -165.61 52.49 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.938 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.02 164.99 34.01 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 CA-C-N 118.559 1.179 . . . . 25.0 111.594 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.75 7.23 2.86 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 114.939 1.092 . . . . 25.0 114.939 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.35 -173.43 39.0 Favored Glycine 0 C--O 1.225 -0.408 0 N-CA-C 111.051 -0.819 . . . . 25.0 111.051 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -127.33 -83.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -133.37 144.53 49.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.66 -174.12 54.84 Favored Glycine 0 C--O 1.223 -0.572 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.86 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.59 29.34 1.3 Allowed Glycine 0 C--O 1.222 -0.643 0 N-CA-C 111.753 -0.539 . . . . 25.0 111.753 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.4 m -94.4 45.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.533 -0.392 . . . . 25.0 111.359 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.531 HD23 ' H ' ' B' ' 141' ' ' LEU . 2.4 pt? -85.66 40.09 0.83 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.549 0.69 . . . . 25.0 112.089 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.9 pp -149.28 159.51 44.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 25.0 110.1 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.8 p -143.0 106.78 4.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.224 0.535 . . . . 25.0 110.044 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.26 134.74 26.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.68 124.64 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 -5.34 10.13 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.448 0.642 . . . . 25.0 111.287 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 48.63 14.92 0.08 Allowed 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.667 2.84 . . . . 25.0 118.667 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.03 30.82 5.31 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.914 0.726 . . . . 25.0 114.914 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 59.9 t -137.4 132.01 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.95 -41.51 0.52 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -88.93 -178.72 5.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.802 0.334 . . . . 25.0 110.795 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 29.8 tp 68.43 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 116.133 1.901 . . . . 25.0 116.133 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.9 m -121.14 90.7 3.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.834 -1.53 . . . . 25.0 108.573 175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.48 25.34 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-O 122.808 1.29 . . . . 25.0 108.038 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -141.34 166.08 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.488 -1.233 . . . . 25.0 108.906 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.48 108.22 15.34 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 106.207 -1.775 . . . . 25.0 106.207 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.62 -24.1 30.68 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 115.964 -2.224 . . . . 25.0 114.772 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -69.14 -47.0 66.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.602 0.715 . . . . 25.0 110.873 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.34 -36.38 77.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 107.486 -1.302 . . . . 25.0 107.486 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.694 -0.684 . . . . 25.0 111.283 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -64.34 -46.47 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 25.0 110.655 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.36 -40.36 95.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 120.111 -0.636 . . . . 25.0 109.616 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.74 92.27 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.73 -35.48 62.66 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.239 -0.913 . . . . 25.0 110.501 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -63.3 -45.29 92.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.24 -43.44 98.88 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.178 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.54 -41.01 91.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 121.285 -0.884 . . . . 25.0 110.051 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.793 0.294 . . . . 25.0 111.793 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.54 -36.09 65.61 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.288 -0.882 . . . . 25.0 112.138 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.17 -43.86 93.83 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.487 -0.758 . . . . 25.0 111.404 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.05 -32.88 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.489 -0.484 . . . . 25.0 109.934 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -65.84 -32.44 73.96 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.65 -0.656 . . . . 25.0 110.492 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.84 -33.6 45.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 114.536 1.31 . . . . 25.0 114.536 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.5 pp -69.2 -21.41 63.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -75.47 -33.82 60.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.447 -0.797 . . . . 25.0 111.765 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 170.88 154.1 9.37 Favored Glycine 0 C--O 1.225 -0.438 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.722 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.03 24.38 9.21 Favored Glycine 0 C--O 1.22 -0.733 0 O-C-N 122.228 -0.572 . . . . 25.0 113.302 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.7 -8.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.903 1.335 . . . . 25.0 110.743 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -84.32 75.16 10.25 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.91 -1.496 . . . . 25.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.694 1.711 . . . . 25.0 111.538 179.323 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm . . . . . 0 N--CA 1.507 2.422 0 N-CA-C 116.157 1.91 . . . . 25.0 116.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -59.27 -32.97 70.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.06 -1.025 . . . . 25.0 111.89 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -58.1 -33.21 68.87 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.95 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -83.64 -37.81 22.36 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.04 -0.413 . . . . 25.0 110.981 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.57 -40.5 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.94 0.348 . . . . 25.0 111.94 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -61.51 -33.16 73.34 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.716 0.293 . . . . 25.0 111.068 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.5 mm -69.51 -51.76 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.9 mtp -60.93 -35.51 76.9 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.553 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.98 95.68 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.371 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.08 80.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.206 1.003 . . . . 25.0 110.486 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -67.29 -39.22 85.98 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.398 -0.819 . . . . 25.0 110.49 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -65.91 -37.89 87.27 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.259 -0.645 . . . . 25.0 109.259 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -48.63 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -12.85 60.17 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.981 1.104 . . . . 25.0 113.981 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -120.62 11.13 11.21 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 121.821 -0.549 . . . . 25.0 112.44 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.75 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.978 0.418 . . . . 25.0 111.352 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -70.66 -31.51 46.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.597 -0.274 . . . . 25.0 110.635 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -66.16 -45.59 80.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.492 0.663 . . . . 25.0 111.066 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -70.85 -36.06 72.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 25.0 109.419 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.63 -44.11 91.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.677 0.251 . . . . 25.0 111.677 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -62.9 -44.27 96.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.021 0.438 . . . . 25.0 110.784 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -67.63 -39.61 84.64 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.349 -0.54 . . . . 25.0 111.373 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.04 -33.56 76.34 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.751 -0.593 . . . . 25.0 110.336 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.51 -31.18 68.16 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.86 -42.63 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.949 0.404 . . . . 25.0 110.5 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -81.47 -35.96 29.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -133.72 66.24 72.74 Favored Pre-proline 0 C--O 1.239 0.543 0 C-N-CA 122.483 0.313 . . . . 25.0 110.703 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.5 142.34 77.7 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 116.37 -1.953 . . . . 25.0 112.487 -176.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -27.38 1.76 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.841 1.096 . . . . 25.0 115.841 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.81 85.23 5.96 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 118.378 1.089 . . . . 25.0 109.303 -174.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -55.71 -36.87 67.66 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -68.19 -46.74 69.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 121.606 -0.684 . . . . 25.0 110.554 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -63.82 -33.53 75.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.097 0.475 . . . . 25.0 110.917 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -62.72 -46.95 85.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.066 -0.515 . . . . 25.0 109.696 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.52 -39.49 93.7 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 118.229 0.468 . . . . 25.0 111.827 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.49 -38.71 82.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 O-C-N 122.248 -0.282 . . . . 25.0 110.695 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.8 tp -69.43 -42.27 75.22 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.049 -1.032 . . . . 25.0 109.713 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.05 -42.2 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.217 -0.29 . . . . 25.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -63.42 -36.18 82.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.504 -0.748 . . . . 25.0 111.458 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -66.83 -43.33 83.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.408 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.99 -40.51 97.98 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.161 -0.472 . . . . 25.0 110.404 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -65.09 -41.36 95.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.72 0.295 . . . . 25.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.31 -50.22 66.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.053 0.454 . . . . 25.0 110.712 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -62.63 -36.51 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.354 -0.385 . . . . 25.0 110.961 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -59.82 -46.64 88.61 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.86 -45.79 93.17 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.64 -0.424 . . . . 25.0 111.436 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -58.86 -51.16 71.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.589 -0.445 . . . . 25.0 111.168 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -64.67 -42.59 95.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.401 -0.187 . . . . 25.0 111.282 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -63.18 -48.1 79.82 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 122.199 -0.313 . . . . 25.0 110.479 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.4 tpp -65.96 -42.5 89.86 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.955 -0.298 . . . . 25.0 111.37 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -62.32 -41.51 98.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.137 0.494 . . . . 25.0 110.693 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -74.52 -42.58 58.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 25.0 111.057 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.81 -37.3 81.5 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 122.928 0.491 . . . . 25.0 110.17 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -56.49 -40.7 75.39 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.412 -0.358 . . . . 25.0 110.171 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -71.49 -31.15 66.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.017 -0.427 . . . . 25.0 111.971 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.2 t -73.84 -46.26 47.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.788 -0.365 . . . . 25.0 110.68 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.61 -29.41 67.92 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.6 tp -66.22 -41.85 89.5 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.228 -0.442 . . . . 25.0 109.962 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.84 94.37 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -67.17 -40.36 86.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 25.0 110.672 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.4 -42.33 98.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.137 -0.352 . . . . 25.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -65.37 -36.54 84.3 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.989 -0.444 . . . . 25.0 110.71 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.61 -22.74 61.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.39 -39.97 31.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.455 0.645 . . . . 25.0 109.703 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.46 -48.32 28.12 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 49.65 50.71 17.81 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.039 -0.982 . . . . 25.0 112.571 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 56.75 45.69 21.35 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.891 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 57.86 54.55 6.05 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 122.772 1.272 . . . . 25.0 110.963 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.212 -0.897 0 CA-C-O 123.476 1.608 . . . . 25.0 112.885 178.394 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 122.66 1.145 . . . . 25.0 115.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.3 -29.57 66.35 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.502 -0.999 . . . . 25.0 111.308 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 87.4 mtp 48.59 42.6 19.34 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.3 t -76.5 122.82 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.65 -0.87 . . . . 25.0 108.65 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -132.79 141.76 48.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.126 -1.435 . . . . 25.0 107.126 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.99 157.12 42.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -117.79 20.49 13.37 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 60.7 p -121.82 51.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.65 -175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 tt -137.44 130.11 30.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.48 -36.49 8.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.705 0.764 . . . . 25.0 112.122 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -159.31 151.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 101.179 -3.638 . . . . 25.0 101.179 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.53 17.01 22.5 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.063 0.545 . . . . 25.0 111.1 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 19.9 mmt -132.59 151.29 51.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -104.58 153.92 17.49 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 107.639 -2.184 . . . . 25.0 107.639 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -159.89 -61.0 0.07 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 21.2 p 43.69 49.98 6.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.944 1.091 . . . . 25.0 113.944 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.6 135.03 20.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-O 121.832 0.825 . . . . 25.0 111.105 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.4 p -140.68 108.26 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.2 -32.77 5.9 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 118.22 2.674 . . . . 25.0 118.22 -172.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -76.5 11.85 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 115.071 -2.819 . . . . 25.0 115.237 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.68 155.0 78.43 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.34 135.31 42.4 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.744 -2.371 . . . . 25.0 112.517 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.33 148.73 25.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.79 -0.641 . . . . 25.0 111.24 -176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 81.3 tttt 94.83 -72.83 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 128.042 2.537 . . . . 25.0 115.088 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.93 150.21 34.0 Favored 'Trans proline' 0 C--N 1.357 0.994 1 C-N-CA 110.474 -5.884 . . . . 25.0 110.483 176.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 12.7 t -129.61 10.76 5.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.461 1.124 . . . . 25.0 108.577 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -95.93 68.52 2.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.612 -1.176 . . . . 25.0 112.483 -175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -107.2 91.67 6.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.607 -0.516 . . . . 25.0 109.607 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.4 149.76 40.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.251 -2.699 . . . . 25.0 110.899 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -147.1 168.12 22.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.653 -1.239 . . . . 25.0 107.653 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.3 m 61.55 -172.56 0.14 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.989 0.916 . . . . 25.0 112.146 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -117.37 163.0 12.71 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.89 151.88 40.63 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 CA-C-N 118.797 1.298 . . . . 25.0 112.801 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -73.47 154.58 50.47 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 117.65 -1.1 . . . . 25.0 111.591 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 172.02 -173.92 45.23 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.216 -1.154 . . . . 25.0 110.216 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -149.31 172.97 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -141.78 170.78 15.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 82.89 -167.99 46.69 Favored Glycine 0 C--O 1.229 -0.158 0 C-N-CA 120.85 -0.69 . . . . 25.0 111.833 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 107.18 -168.93 14.47 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 110.253 -1.139 . . . . 25.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 19.7 m 55.35 26.86 9.16 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.111 1.152 . . . . 25.0 114.111 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 42.6 tp -135.22 86.44 2.25 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.877 -1.898 . . . . 25.0 105.877 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.095 -0.957 . . . . 25.0 109.709 -174.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -153.39 153.04 31.77 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.0 t -135.53 129.97 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.1 124.54 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.4 t -118.21 -1.31 11.37 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.765 0.793 . . . . 25.0 110.08 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 44.84 47.18 9.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.472 -1.695 . . . . 25.0 115.568 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.51 22.4 16.82 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.903 -0.589 . . . . 25.0 111.929 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.8 t -94.94 125.04 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 74.74 41.22 35.11 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.583 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -50.41 -47.64 56.42 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.445 0.698 . . . . 25.0 111.936 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.9 tp 52.26 -86.23 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.602 1.704 . . . . 25.0 115.602 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 58.8 p -151.21 76.37 1.22 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 123.069 0.548 . . . . 25.0 111.166 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.426 HG23 ' H ' ' B' ' 154' ' ' VAL . 0.2 OUTLIER -75.84 5.94 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-O 121.488 0.661 . . . . 25.0 111.261 176.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 30.8 pt -140.37 164.8 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.708 0.803 . . . . 25.0 109.279 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.41 110.72 28.85 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 105.751 -1.944 . . . . 25.0 105.751 168.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.8 -20.96 25.54 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 116.011 -2.193 . . . . 25.0 114.877 -172.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.18 -51.82 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.56 -32.24 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.486 -1.301 . . . . 25.0 107.486 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.85 92.28 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.587 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -64.95 -46.2 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 25.0 110.808 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.67 -39.22 93.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.202 0.525 . . . . 25.0 109.724 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.11 93.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.316 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 2.6 p -70.69 -36.6 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.92 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -62.51 -45.14 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.66 -41.85 91.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.057 0.456 . . . . 25.0 111.237 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.31 -41.06 83.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.39 -38.17 86.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.635 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -69.39 -37.32 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.325 -0.859 . . . . 25.0 111.01 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -58.71 -45.69 88.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.63 -0.669 . . . . 25.0 111.447 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.68 -28.11 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.726 -0.39 . . . . 25.0 110.915 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -67.56 -42.43 82.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 87.8 mt -74.0 -32.62 63.48 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.13 -11.94 58.63 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.687 0.676 . . . . 25.0 111.14 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -79.39 0.59 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 25.0 112.014 174.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 123.11 -27.96 5.72 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-O 120.292 -0.171 . . . . 25.0 113.031 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 80.11 -54.52 4.5 Favored Glycine 0 C--O 1.221 -0.661 0 CA-C-N 117.155 0.478 . . . . 25.0 112.495 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.43 1.63 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.51 0.671 . . . . 25.0 111.867 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.59 73.04 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.946 0.879 . . . . 25.0 109.91 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.642 2.163 . . . . 25.0 111.792 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.8 mtm . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 125.595 2.617 . . . . 25.0 114.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -130.66 127.63 39.29 Favored 'General case' 0 C--N 1.344 0.338 0 O-C-N 119.942 -1.724 . . . . 25.0 108.361 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.32 -24.83 60.88 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 114.636 1.346 . . . . 25.0 114.636 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -70.5 -33.29 71.05 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.918 -0.489 . . . . 25.0 112.058 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -59.56 -43.4 93.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.442 0.534 . . . . 25.0 112.442 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -66.01 -31.28 72.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.67 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.4 mm -68.43 -52.57 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.9 mtp -60.92 -38.56 86.19 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 120.575 -0.45 . . . . 25.0 110.88 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.74 92.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.878 0.37 . . . . 25.0 110.914 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.77 71.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 25.0 110.447 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.83 -38.65 86.82 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.294 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.78 -37.58 87.22 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.852 -0.795 . . . . 25.0 108.852 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -64.23 -53.08 54.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -10.36 59.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -119.12 11.19 12.32 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 121.901 -0.499 . . . . 25.0 111.614 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -55.01 36.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.353 0.408 . . . . 25.0 110.236 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.59 -32.68 42.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.196 -0.315 . . . . 25.0 110.756 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.76 -45.06 83.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.532 0.682 . . . . 25.0 111.483 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -73.28 -33.91 65.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -65.12 -42.54 93.83 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 121.146 -0.222 . . . . 25.0 111.288 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -65.91 -41.17 91.79 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.189 -0.319 . . . . 25.0 110.632 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -67.07 -40.48 87.04 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.722 -0.791 . . . . 25.0 110.694 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.8 -34.24 77.89 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.522 -0.736 . . . . 25.0 110.111 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.06 74.63 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 119.314 -0.374 . . . . 25.0 111.932 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -70.64 -28.27 64.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 119.211 0.914 . . . . 25.0 110.76 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -86.3 -42.91 13.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.113 0.783 . . . . 25.0 113.113 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 35.6 m-85 -131.25 67.69 80.74 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-O 120.907 0.384 . . . . 25.0 110.009 -177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.15 139.76 62.14 Favored 'Trans proline' 0 C--O 1.224 -0.181 0 C-N-CA 116.629 -1.78 . . . . 25.0 111.969 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.05 -25.33 2.65 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 115.625 1.01 . . . . 25.0 115.625 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -88.23 83.28 6.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 118.211 1.005 . . . . 25.0 109.575 -174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -56.89 -35.82 69.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.76 -46.47 75.26 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.793 -0.567 . . . . 25.0 111.32 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.32 -34.79 78.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.472 . . . . 25.0 109.979 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -60.74 -47.99 83.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.839 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -61.99 -42.37 99.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 118.137 0.426 . . . . 25.0 111.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.39 -44.74 99.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 110.296 -0.261 . . . . 25.0 110.296 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 23' ' ' ALA . 61.1 tp -65.14 -41.2 94.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.883 -0.51 . . . . 25.0 110.967 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -60.85 -40.06 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -59.3 -41.99 90.28 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.576 -0.702 . . . . 25.0 112.022 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.67 -42.4 98.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.549 0.69 . . . . 25.0 109.28 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.55 -39.87 92.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.307 -0.861 . . . . 25.0 111.725 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -62.55 -42.53 99.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 25.0 110.706 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -68.01 -50.93 52.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.831 0.348 . . . . 25.0 110.985 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -59.69 -38.36 81.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.776 0.322 . . . . 25.0 110.621 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.98 -45.37 95.07 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.56 -45.81 92.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.629 -0.429 . . . . 25.0 111.537 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -60.32 -48.47 81.61 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.756 -0.378 . . . . 25.0 110.819 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -67.27 -38.64 85.43 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.311 -0.243 . . . . 25.0 111.164 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.0 -47.42 83.19 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 121.773 -0.579 . . . . 25.0 110.687 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -40.31 90.22 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.511 -0.476 . . . . 25.0 110.509 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -62.52 -46.29 89.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.907 0.384 . . . . 25.0 110.136 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -70.12 -43.56 70.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.57 -0.286 . . . . 25.0 111.11 -177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.95 -38.18 81.71 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.69 -41.19 90.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.422 -0.585 . . . . 25.0 109.422 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.19 -29.17 65.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.374 0.509 . . . . 25.0 112.374 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.02 -48.08 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 118.4 0.546 . . . . 25.0 111.117 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.89 -30.26 70.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.1 tp -68.33 -40.46 81.61 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.587 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.72 93.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.79 -37.22 76.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.949 0.404 . . . . 25.0 110.181 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.18 -38.26 87.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.872 0.368 . . . . 25.0 110.509 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -63.69 -37.27 86.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.167 -0.333 . . . . 25.0 110.45 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.87 -26.41 64.18 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.831 0.348 . . . . 25.0 111.15 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.68 -27.79 45.16 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.879 0.371 . . . . 25.0 110.426 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -88.89 -54.71 4.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.976 0.732 . . . . 25.0 112.976 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 50.94 18.79 0.56 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.073 1.509 . . . . 25.0 115.073 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -86.56 42.64 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 42.95 60.53 2.45 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? . . . . . 0 C--O 1.213 -0.867 0 CA-C-O 123.189 1.471 . . . . 25.0 112.698 179.144 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 CA-C-O 123.615 1.675 . . . . 25.0 115.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.25 164.5 36.46 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 41.2 ttm -152.75 164.64 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.005 -1.85 . . . . 25.0 106.005 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -135.64 151.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 105.352 -2.092 . . . . 25.0 105.352 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -124.96 158.75 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.41 147.38 37.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.095 -0.705 . . . . 25.0 109.095 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.97 154.37 47.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.1 p -151.99 164.86 36.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.38 152.02 51.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -137.11 104.9 5.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.349 -1.352 . . . . 25.0 107.349 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.0 t -127.52 110.48 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.97 17.29 5.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.755 -0.657 . . . . 25.0 110.145 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -79.28 139.69 37.79 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.33 -177.59 31.5 Favored Glycine 0 C--O 1.222 -0.638 0 N-CA-C 111.007 -0.837 . . . . 25.0 111.007 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.39 -53.44 35.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 33.3 p 38.88 57.26 1.9 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.768 1.766 . . . . 25.0 115.768 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.14 96.26 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.204 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.9 t -141.69 94.82 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.305 0.574 . . . . 25.0 110.31 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -80.87 -44.75 1.24 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.74 78.91 3.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 115.589 -2.474 . . . . 25.0 115.388 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.9 72.87 4.47 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.478 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.38 146.41 44.93 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 115.616 -2.456 . . . . 25.0 113.082 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.41 155.46 33.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -66.74 -49.96 47.04 Favored Pre-proline 0 CA--C 1.546 0.816 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.64 152.8 48.5 Favored 'Trans proline' 0 C--N 1.355 0.902 1 C-N-CA 113.242 -4.038 . . . . 25.0 111.289 177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.38 9.62 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.337 0.589 . . . . 25.0 110.687 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 61.5 p -159.25 151.5 21.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.744 -1.576 . . . . 25.0 106.744 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.63 121.84 10.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -78.59 126.13 7.26 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 117.432 -1.245 . . . . 25.0 114.038 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 49.9 p -123.4 12.99 9.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.623 0.725 . . . . 25.0 110.744 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.6 t -75.34 151.93 38.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.515 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.8 177.49 37.17 Favored Glycine 0 C--O 1.236 0.235 0 N-CA-C 109.631 -1.388 . . . . 25.0 109.631 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -72.74 151.89 52.3 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 CA-C-N 119.335 1.567 . . . . 25.0 112.848 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.14 159.45 37.19 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 118.017 -0.855 . . . . 25.0 112.635 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -148.2 103.54 0.26 Allowed Glycine 0 C--O 1.224 -0.478 0 N-CA-C 110.967 -0.853 . . . . 25.0 110.967 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -155.74 125.48 6.44 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 25.0 107.984 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -158.73 160.75 36.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 163.04 -173.49 39.24 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 108.817 -1.713 . . . . 25.0 108.817 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.36 77.67 0.72 Allowed Glycine 0 C--O 1.222 -0.596 0 N-CA-C 114.657 0.623 . . . . 25.0 114.657 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.4 t -146.61 101.02 3.42 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.801 -0.814 . . . . 25.0 108.801 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.7 tp -142.33 45.45 1.64 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 122.134 0.969 . . . . 25.0 108.978 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.9 mp -79.28 134.91 36.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.467 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 62.3 p -155.48 153.43 30.28 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 62.3 t -140.49 129.46 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 107.645 -1.242 . . . . 25.0 107.645 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.53 131.58 68.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -126.21 -4.84 6.73 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 45.2 38.46 3.36 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.172 1.545 . . . . 25.0 115.172 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.38 35.97 3.6 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 121.675 -0.641 . . . . 25.0 114.593 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.7 p -157.06 152.37 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -141.46 -118.61 1.45 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 106.11 -2.796 . . . . 25.0 106.11 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -91.84 158.49 16.29 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 55.9 tp -152.96 132.73 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 20.6 m -116.83 78.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.255 0.55 . . . . 25.0 110.928 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.7 18.96 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-O 122.316 1.055 . . . . 25.0 109.365 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.3 pt -140.42 166.27 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.496 -0.775 . . . . 25.0 109.475 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -87.51 109.16 23.96 Favored Pre-proline 0 C--O 1.243 0.751 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 170.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.02 -23.7 24.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 115.855 -2.297 . . . . 25.0 114.596 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -69.98 -43.76 70.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.602 0.715 . . . . 25.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.52 -37.86 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.38 84.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.406 -0.815 . . . . 25.0 111.259 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -64.58 -45.24 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.738 0.304 . . . . 25.0 110.992 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.91 -39.85 95.79 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.54 94.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.228 -0.442 . . . . 25.0 112.184 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 7.7 p -72.15 -33.44 67.75 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.958 -0.697 . . . . 25.0 110.423 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -63.84 -42.98 97.49 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -61.04 -43.12 99.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.923 0.392 . . . . 25.0 110.448 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 63.4 t -62.58 -42.14 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 O-C-N 122.127 -0.358 . . . . 25.0 110.177 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.6 mp -63.58 -36.8 84.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -66.14 -46.15 78.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.694 -0.629 . . . . 25.0 111.324 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -64.27 -45.32 88.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.945 -0.472 . . . . 25.0 111.45 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.66 -29.55 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.64 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -70.44 -41.32 73.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.884 -0.51 . . . . 25.0 109.693 175.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 44.3 tp -72.14 -40.09 68.32 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.42 -12.13 28.52 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.419 0.628 . . . . 25.0 112.454 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -71.85 -15.15 62.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 77.23 -31.45 1.58 Allowed Glycine 0 C--O 1.222 -0.623 0 N-CA-C 116.15 1.22 . . . . 25.0 116.15 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.94 -1.91 14.69 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 116.024 1.17 . . . . 25.0 116.024 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.3 8.49 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.242 0.544 . . . . 25.0 109.753 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -133.97 97.31 3.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.809 0.814 . . . . 25.0 110.279 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.548 0.889 0 CA-C-O 125.799 2.714 . . . . 25.0 111.218 178.519 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptt? . . . . . 0 N--CA 1.514 2.739 0 N-CA-C 116.397 1.999 . . . . 25.0 116.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -147.01 157.25 43.56 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 120.814 -1.179 . . . . 25.0 108.459 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -58.3 -32.11 68.13 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -56.22 -33.21 65.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 121.916 -0.49 . . . . 25.0 112.057 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -61.96 -44.08 97.49 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.805 -0.559 . . . . 25.0 112.241 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.08 -31.27 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.085 -0.646 . . . . 25.0 110.552 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -69.65 -53.35 24.92 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.951 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -61.58 -35.99 79.39 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.248 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.08 99.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 118.037 0.38 . . . . 25.0 109.979 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.96 -39.75 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.718 0.771 . . . . 25.0 110.512 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.16 -38.8 86.07 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.743 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.27 -38.2 90.2 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.7 m -61.89 -51.31 68.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -10.78 59.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.916 1.08 . . . . 25.0 113.916 -174.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.409 HG21 ' CE1' ' A' ' 45' ' ' HIS . 75.8 p -122.18 9.68 9.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.638 0.606 . . . . 25.0 112.638 -178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.33 -56.82 14.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.924 0.392 . . . . 25.0 111.498 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.53 -30.24 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.696 0.284 . . . . 25.0 110.526 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -67.26 -48.67 67.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.253 0.549 . . . . 25.0 111.232 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -67.94 -35.23 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -64.35 -43.73 93.67 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.855 0.317 . . . . 25.0 111.855 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.09 -43.2 96.13 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 25.0 110.25 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.56 -40.82 84.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.392 0.615 . . . . 25.0 110.989 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.44 -34.56 78.48 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.607 -0.683 . . . . 25.0 110.631 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.26 -31.12 69.44 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 110.519 -0.178 . . . . 25.0 110.519 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.63 -41.05 79.98 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.619 -0.432 . . . . 25.0 110.451 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -81.38 -36.33 29.72 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.557 -0.857 . . . . 25.0 112.436 -175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -133.7 67.66 75.12 Favored Pre-proline 0 C--O 1.242 0.7 0 CA-C-O 120.946 0.403 . . . . 25.0 110.722 -177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.32 140.93 72.76 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 C-N-CA 116.577 -1.815 . . . . 25.0 113.335 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -27.32 2.24 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.553 0.981 . . . . 25.0 115.553 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.63 88.07 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.541 1.171 . . . . 25.0 110.137 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -58.78 -31.58 68.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.725 -0.671 . . . . 25.0 112.247 -176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.89 -50.29 43.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.657 -0.652 . . . . 25.0 109.89 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.11 -35.98 76.45 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.053 0.454 . . . . 25.0 110.6 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -62.11 -47.51 84.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.124 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -61.84 -41.57 97.98 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 118.596 0.635 . . . . 25.0 111.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.19 -43.57 89.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 23' ' ' ALA . 42.6 tp -67.08 -42.13 85.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.963 -0.461 . . . . 25.0 110.548 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.07 -40.16 82.48 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -59.43 -42.04 90.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.674 -0.641 . . . . 25.0 111.801 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -66.6 -42.04 87.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 25.0 110.347 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.09 -40.0 94.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.01 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -66.01 -41.87 90.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.939 0.348 . . . . 25.0 111.939 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.81 -48.38 66.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 25.0 110.414 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.04 -39.26 89.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.494 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 15' ' ' THR . 22.4 t-160 -60.3 -44.21 95.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.019 -0.364 . . . . 25.0 110.019 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.1 -45.76 92.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.079 0.4 . . . . 25.0 112.079 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -63.2 -48.48 78.14 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.549 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -63.48 -40.37 96.91 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 123.139 0.274 . . . . 25.0 110.571 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -62.97 -47.99 80.81 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 121.929 -0.482 . . . . 25.0 110.832 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.37 98.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.243 0.544 . . . . 25.0 110.408 -178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.42 -43.21 98.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.631 . . . . 25.0 111.27 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' B' ' 162' ' ' LYS . 41.0 tt0 -73.56 -43.23 60.35 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.199 -0.313 . . . . 25.0 111.13 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.7 tp -58.62 -38.43 78.02 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 122.84 0.456 . . . . 25.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -58.24 -41.17 83.6 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.12 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.07 -32.76 69.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.29 -0.256 . . . . 25.0 111.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.3 -47.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.427 . . . . 25.0 110.743 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -66.94 -30.21 70.29 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.394 -0.595 . . . . 25.0 109.394 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.9 tp -67.55 -41.38 84.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.294 -0.412 . . . . 25.0 110.972 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.8 95.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.23 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.26 -41.21 94.49 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 122.047 -0.408 . . . . 25.0 110.991 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.11 -38.61 91.69 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.882 -0.511 . . . . 25.0 110.528 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.89 -28.38 66.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.581 0.215 . . . . 25.0 111.581 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.99 -23.2 44.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.755 0.312 . . . . 25.0 110.837 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.21 -58.93 2.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.282 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 53.64 27.46 6.81 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.227 1.195 . . . . 25.0 114.227 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -100.17 21.73 12.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.617 -0.677 . . . . 25.0 111.791 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 54.32 47.94 21.86 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.606 1.193 . . . . 25.0 111.142 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 . . . . . 0 C--O 1.218 -0.574 0 CA-C-O 123.934 1.826 . . . . 25.0 110.992 179.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.042 0 CA-C-O 122.53 1.072 . . . . 25.0 115.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 54.14 35.38 22.27 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.879 1.271 . . . . 25.0 111.969 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 54.5 mtt -70.22 140.06 52.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.411 -0.588 . . . . 25.0 109.411 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -128.1 37.12 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -83.2 30.4 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.701 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.95 61.81 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -131.23 138.66 49.45 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.542 -0.754 . . . . 25.0 109.936 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 20.0 m -87.9 162.08 17.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.69 154.06 40.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.184 -1.784 . . . . 25.0 106.184 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.26 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -148.9 127.7 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 105.548 -2.019 . . . . 25.0 105.548 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.51 -98.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.7 mtm 63.21 -166.55 0.22 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.676 1.19 . . . . 25.0 109.491 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.41 -127.34 8.55 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -85.92 7.57 23.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.4 p -79.38 47.88 0.85 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -99.21 121.0 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.103 -0.703 . . . . 25.0 109.103 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 t -111.27 61.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.379 1.085 . . . . 25.0 109.447 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.25 -40.39 84.45 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 117.841 2.534 . . . . 25.0 117.841 -177.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -80.35 11.07 2.99 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 115.487 -2.542 . . . . 25.0 115.42 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.07 123.27 83.51 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 121.877 -0.514 . . . . 25.0 111.22 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -79.57 5.27 5.98 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.754 1.021 . . . . 25.0 114.754 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.95 146.03 51.85 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.508 -1.223 . . . . 25.0 108.214 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -71.94 -35.17 3.36 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.16 2.281 . . . . 25.0 117.16 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -78.04 146.48 22.99 Favored 'Trans proline' 0 C--N 1.356 0.93 1 C-N-CA 111.205 -5.397 . . . . 25.0 112.339 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.7 p -70.67 124.58 24.62 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.962 -2.607 . . . . 25.0 103.962 170.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.0 p -150.5 35.47 0.63 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.768 1.27 . . . . 25.0 110.092 -170.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.21 129.01 89.69 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 113.684 -1.598 . . . . 25.0 108.978 -176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.47 126.17 11.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 N-CA-C 116.073 1.528 . . . . 25.0 116.073 -171.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.1 t -151.09 154.25 36.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 104.814 -2.291 . . . . 25.0 104.814 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 68.5 m -152.18 158.86 43.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.334 0.515 . . . . 25.0 110.763 -175.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.17 173.26 26.24 Favored Glycine 0 CA--C 1.522 0.505 0 CA-C-N 116.309 -0.405 . . . . 25.0 113.234 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.08 163.17 31.03 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.191 1.928 . . . . 25.0 113.338 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.49 143.56 47.66 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 117.68 -1.08 . . . . 25.0 112.478 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.18 35.67 4.84 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-N 116.406 -0.361 . . . . 25.0 113.827 -177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -90.3 -8.96 49.55 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -174.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -73.27 140.33 46.77 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.046 -0.409 . . . . 25.0 109.99 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.62 -157.38 15.13 Favored Glycine 0 C--O 1.219 -0.829 0 N-CA-C 110.64 -0.984 . . . . 25.0 110.64 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 102.83 12.85 31.17 Favored Glycine 0 C--O 1.224 -0.47 0 N-CA-C 115.379 0.912 . . . . 25.0 115.379 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.7 m 51.56 44.71 28.92 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.318 1.229 . . . . 25.0 114.318 175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 19.02 8.86 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt 65.52 174.02 0.22 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.985 1.314 . . . . 25.0 114.288 173.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 p -151.21 156.18 40.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.782 -1.933 . . . . 25.0 105.782 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.6 131.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -73.09 120.93 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -126.12 -3.72 6.91 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.345 0.593 . . . . 25.0 111.891 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 47.27 33.76 2.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.803 1.409 . . . . 25.0 114.803 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.74 -15.51 63.28 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.5 p -158.17 148.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.21 61.67 0.16 Allowed Glycine 0 C--O 1.215 -1.074 0 N-CA-C 114.458 0.543 . . . . 25.0 114.458 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.26 -43.46 96.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.286 0.543 . . . . 25.0 111.969 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.1 tp 59.78 125.66 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 117.671 2.471 . . . . 25.0 117.671 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.1 m -112.24 93.33 4.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.402 -0.811 . . . . 25.0 111.201 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 23.5 m -86.92 28.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.644 0.735 . . . . 25.0 111.561 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -141.83 167.37 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -88.96 104.77 8.26 Favored Pre-proline 0 C--O 1.247 0.952 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 169.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.5 -23.07 27.86 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 115.725 -2.384 . . . . 25.0 114.532 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -72.63 -39.76 66.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.465 0.65 . . . . 25.0 111.692 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.18 -39.77 83.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.87 76.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.416 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -67.39 -40.83 85.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.791 0.329 . . . . 25.0 111.322 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . 0.4 ' HB2' HE22 ' A' ' 52' ' ' GLN . 86.9 mttt -67.57 -36.53 81.11 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.343 -0.943 . . . . 25.0 109.499 175.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.86 92.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.235 0.458 . . . . 25.0 112.235 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.6 p -73.38 -33.98 65.33 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 121.24 -0.913 . . . . 25.0 110.698 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -64.69 -43.73 92.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -58.75 -40.6 84.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.351 0.596 . . . . 25.0 110.598 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.17 -49.29 63.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.481 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.21 -42.6 95.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.088 -0.383 . . . . 25.0 111.615 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -64.51 -40.72 96.16 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.85 0.295 . . . . 25.0 110.773 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -66.06 -37.28 85.42 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.661 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.2 t -69.88 -36.1 67.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.843 -0.428 . . . . 25.0 109.843 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.67 -39.85 95.23 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.551 -0.718 . . . . 25.0 109.922 172.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.01 -36.38 64.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 114.223 1.194 . . . . 25.0 114.223 -175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.87 -12.93 58.21 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.52 0.6 . . . . 25.0 111.128 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -78.16 -2.75 39.08 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.312 -0.404 . . . . 25.0 111.685 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 115.58 -21.04 13.07 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 112.077 -0.409 . . . . 25.0 112.077 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 79.95 -57.77 4.57 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.103 0.28 . . . . 25.0 112.97 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.19 -2.85 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.107 0.956 . . . . 25.0 110.844 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -92.6 94.33 8.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.751 -1.113 . . . . 25.0 110.745 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 125.442 2.544 . . . . 25.0 109.85 175.171 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.504 2.261 0 CA-C-O 123.692 1.71 . . . . 25.0 114.328 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -92.84 157.46 16.37 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -59.06 -33.85 71.26 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-O 121.174 0.511 . . . . 25.0 110.319 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -56.83 -33.45 66.76 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -62.34 -40.23 95.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.385 0.513 . . . . 25.0 112.385 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.01 -31.32 70.06 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.058 -0.657 . . . . 25.0 109.902 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mm -66.22 -52.73 44.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.74 -36.52 79.1 Favored 'General case' 0 C--O 1.217 -0.632 0 C-N-CA 120.564 -0.455 . . . . 25.0 110.871 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.68 99.45 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.61 -37.77 70.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.17 0.986 . . . . 25.0 109.817 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.0 mt -67.01 -40.51 87.33 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-N 115.509 -0.769 . . . . 25.0 110.857 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -66.44 -36.01 81.73 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 108.836 -0.801 . . . . 25.0 108.836 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -64.05 -49.2 73.29 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.775 0.658 . . . . 25.0 112.775 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -7.84 53.82 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.2 p -124.22 10.73 8.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.949 -0.469 . . . . 25.0 111.937 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.01 -56.05 21.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.017 0.437 . . . . 25.0 111.762 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.92 -31.72 46.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.514 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -65.69 -46.21 79.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.612 0.72 . . . . 25.0 110.908 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.6 m-30 -71.41 -36.34 71.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.518 -0.764 . . . . 25.0 109.227 -177.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.98 -46.59 80.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.382 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -65.32 -42.45 92.93 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.476 0.179 . . . . 25.0 110.97 -178.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -65.27 -42.05 93.6 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.016 -0.674 . . . . 25.0 111.383 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.652 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -65.07 -35.24 80.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.835 -0.54 . . . . 25.0 110.423 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.5 82.12 Favored 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -66.15 -38.75 88.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.541 . . . . 25.0 110.543 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -82.8 -40.65 20.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' CE2' HD12 ' A' ' 37' ' ' LEU . 33.6 m-85 -130.31 65.79 76.61 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.317 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.2 141.83 77.46 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 116.402 -1.932 . . . . 25.0 112.164 -175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.78 -26.87 2.3 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -88.69 84.07 6.72 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 118.072 0.936 . . . . 25.0 109.251 -175.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -57.08 -35.26 69.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.671 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -67.84 -45.91 73.28 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.974 -0.454 . . . . 25.0 110.925 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.44 -34.94 78.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.979 0.419 . . . . 25.0 110.053 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -60.44 -45.72 92.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.837 -0.619 . . . . 25.0 109.756 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -63.8 -42.52 97.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.073 -0.392 . . . . 25.0 111.002 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.81 -43.16 96.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 110.037 -0.357 . . . . 25.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' CE2' ' A' ' 27' ' ' TYR . 5.4 tt -59.96 -51.45 69.6 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.54 -37.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 122.305 -0.247 . . . . 25.0 110.918 -174.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.72 -42.74 79.72 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.739 -0.601 . . . . 25.0 111.712 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.4 -42.88 92.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.793 0.806 . . . . 25.0 109.366 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD23 ' CG ' ' A' ' 19' ' ' PHE . 2.1 tp -62.68 -39.09 92.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.907 -1.042 . . . . 25.0 112.137 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.35 -43.23 86.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -68.84 -47.33 66.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.37 -37.71 81.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.212 -0.305 . . . . 25.0 110.646 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -60.27 -48.59 81.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.58 0.228 . . . . 25.0 110.394 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -61.95 -43.69 98.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.484 -0.326 . . . . 25.0 111.61 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -59.07 -51.1 71.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.451 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -64.58 -42.55 95.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.402 -0.186 . . . . 25.0 111.244 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -66.0 -45.95 79.73 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 121.858 -0.526 . . . . 25.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 tpp -66.09 -42.0 89.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.185 0.448 . . . . 25.0 111.597 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -66.3 -38.59 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.625 -0.43 . . . . 25.0 110.032 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -74.8 -39.04 61.94 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.698 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.0 -40.13 92.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.046 0.45 . . . . 25.0 109.996 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -59.72 -37.43 78.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.102 -0.374 . . . . 25.0 111.521 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.95 -45.74 36.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 121.966 -0.458 . . . . 25.0 111.538 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -67.69 -29.73 69.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.7 tp -67.54 -39.73 85.03 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.507 -0.77 . . . . 25.0 110.198 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.06 94.31 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.739 -0.467 . . . . 25.0 109.739 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.41 -39.99 94.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.012 0.434 . . . . 25.0 109.878 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -64.95 -41.09 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.195 -0.315 . . . . 25.0 110.967 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -64.06 -36.22 83.28 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.284 -0.26 . . . . 25.0 110.937 177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.47 63.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.7 0.286 . . . . 25.0 111.38 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.99 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.104 0.478 . . . . 25.0 110.034 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.87 -52.91 5.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 49.96 46.59 24.23 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.86 0.864 . . . . 25.0 111.048 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 19.46 4.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 25.0 112.006 -177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.43 121.29 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.228 1.966 . . . . 25.0 111.293 -179.57 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.041 0 N-CA-C 115.27 0.868 . . . . 25.0 115.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 55.36 29.75 13.64 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.849 1.26 . . . . 25.0 112.541 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 ptm -79.07 73.34 5.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.688 0.756 . . . . 25.0 111.982 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.69 130.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.173 -1.417 . . . . 25.0 107.173 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -153.0 -177.94 6.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.597 -0.52 . . . . 25.0 109.597 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.72 -168.8 0.12 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.896 0.878 . . . . 25.0 112.38 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 163.58 8.68 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 104.177 -2.527 . . . . 25.0 104.177 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.4 p -77.46 150.02 34.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -133.12 146.79 51.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -162.66 166.68 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 104.01 -2.589 . . . . 25.0 104.01 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.3 t 51.49 53.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-O 122.043 0.925 . . . . 25.0 111.654 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -117.51 157.5 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.964 -1.124 . . . . 25.0 107.964 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -151.87 171.94 16.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.56 179.69 42.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 106.681 -2.567 . . . . 25.0 106.681 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -130.24 95.63 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.42 1.105 . . . . 25.0 108.253 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 69.5 p -123.54 35.58 4.82 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.731 -1.577 . . . . 25.0 107.715 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.34 135.7 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 122.139 0.971 . . . . 25.0 111.633 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.35 59.04 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.84 -46.16 92.55 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 113.929 -1.487 . . . . 25.0 114.135 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.26 -170.68 0.84 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 114.62 -3.12 . . . . 25.0 110.253 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -104.36 65.46 0.11 Allowed Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.17 151.71 34.71 Favored 'Trans proline' 0 C--N 1.354 0.83 1 C-N-CA 112.668 -4.421 . . . . 25.0 110.48 175.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.75 152.48 42.71 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.46 -40.72 0.21 Allowed Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -80.4 -135.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 116.018 -2.188 . . . . 25.0 109.467 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.4 p -106.52 161.12 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 172.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -76.33 145.36 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.835 -1.913 . . . . 25.0 105.835 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 27.55 73.57 0.39 Allowed Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.9 127.24 14.98 Favored 'Trans proline' 0 C--N 1.345 0.35 0 N-CA-C 113.795 0.652 . . . . 25.0 113.795 -175.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 54.2 p -85.55 46.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t 58.57 -151.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.372 0.669 . . . . 25.0 111.372 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -162.94 177.66 38.93 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 111.623 -0.591 . . . . 25.0 111.623 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.37 162.87 33.12 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.349 2.033 . . . . 25.0 114.097 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -72.04 159.36 50.31 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 118.728 -0.381 . . . . 25.0 111.901 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.8 -54.82 3.78 Favored Glycine 0 C--O 1.224 -0.495 0 N-CA-C 116.444 1.338 . . . . 25.0 116.444 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -161.99 159.92 27.03 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.828 0.814 . . . . 25.0 109.754 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -81.68 148.21 29.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 175.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -103.71 -172.25 25.63 Favored Glycine 0 C--O 1.227 -0.297 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.08 161.43 32.45 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 107.36 -2.296 . . . . 25.0 107.36 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 37.7 t -153.17 120.2 5.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.059 0.93 . . . . 25.0 109.779 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 59.8 tp -145.43 89.57 1.94 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.116 -1.439 . . . . 25.0 107.116 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.27 127.19 43.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.7 m -154.48 157.04 37.8 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 105.778 -1.934 . . . . 25.0 105.778 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -144.46 144.59 22.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.8 mt -120.33 111.14 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.4 t -99.97 -4.67 29.61 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.367 1.08 . . . . 25.0 111.144 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.4 10.91 27.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.667 -1.606 . . . . 25.0 111.769 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.83 32.12 6.79 Favored Glycine 0 C--N 1.317 -0.494 0 CA-C-N 114.246 -1.343 . . . . 25.0 112.702 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.42 133.18 64.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.874 0.337 . . . . 25.0 110.112 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 102.26 47.07 1.48 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 116.034 1.174 . . . . 25.0 116.034 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.04 -55.36 33.85 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.052 0.39 . . . . 25.0 112.052 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp 61.98 132.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.277 1.431 . . . . 25.0 114.541 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 p -77.17 78.45 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.566 -0.709 . . . . 25.0 110.018 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.43 HG22 ' H ' ' B' ' 154' ' ' VAL . 17.0 m -79.29 31.11 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.366 1.066 . . . . 25.0 111.895 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.3 pt -141.7 166.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 123.989 0.916 . . . . 25.0 108.74 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -87.79 107.39 15.42 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 172.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.16 -26.51 17.87 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 115.565 -2.49 . . . . 25.0 116.651 -167.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -72.77 -46.7 52.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.713 0.688 . . . . 25.0 112.806 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.54 -31.29 52.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.494 0 N-CA-C 107.076 -1.453 . . . . 25.0 107.076 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.49 80.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.244 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -64.58 -46.53 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.776 0.322 . . . . 25.0 110.659 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -65.39 -35.54 81.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.18 86.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.039 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.4 -38.16 71.48 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 119.53 -0.868 . . . . 25.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.47 -43.22 99.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 25.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -57.51 -41.41 80.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.488 0.661 . . . . 25.0 110.394 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.98 -38.95 74.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.317 -0.401 . . . . 25.0 111.291 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -40.74 95.7 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.161 -0.337 . . . . 25.0 110.549 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.56 -34.65 70.17 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.554 -0.716 . . . . 25.0 111.767 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -67.34 -43.37 81.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.14 -28.11 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.144 -0.348 . . . . 25.0 110.861 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -61.27 -35.34 77.03 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 122.109 -0.37 . . . . 25.0 110.642 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.95 -27.49 43.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.694 0.998 . . . . 25.0 113.694 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.17 -28.95 69.76 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.203 1.001 . . . . 25.0 108.757 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -76.81 1.78 16.39 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.101 -1.409 . . . . 25.0 111.946 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.15 -4.7 65.74 Favored Glycine 0 C--O 1.224 -0.505 0 O-C-N 122.055 -0.403 . . . . 25.0 113.294 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 67.01 14.45 63.49 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 121.376 -0.44 . . . . 25.0 113.688 -177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 30.0 m -79.82 -6.56 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 122.058 0.933 . . . . 25.0 112.59 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -85.14 50.08 1.87 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.422 -1.263 . . . . 25.0 110.695 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--O 1.212 -0.909 0 CA-C-O 123.527 1.632 . . . . 25.0 111.411 -178.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 mtm . . . . . 0 N--CA 1.504 2.262 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -61.42 -30.33 70.5 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.36 -1.462 . . . . 25.0 112.863 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -63.15 -24.47 67.9 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -83.19 -37.82 23.14 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.994 -0.441 . . . . 25.0 110.43 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.39 -40.57 91.39 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.915 0.339 . . . . 25.0 111.915 -175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -64.4 -31.27 72.42 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.215 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -68.95 -52.22 36.53 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 177.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -60.9 -34.53 74.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.915 -0.314 . . . . 25.0 111.489 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.141 0.496 . . . . 25.0 110.097 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -37.66 68.97 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.064 0.459 . . . . 25.0 111.052 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.83 -40.57 91.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.17 -38.72 87.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.28 -0.418 . . . . 25.0 110.151 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -60.97 -48.91 79.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -13.01 57.19 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -175.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -115.61 5.12 14.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 121.859 -0.526 . . . . 25.0 112.356 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.06 -56.96 9.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.888 0.375 . . . . 25.0 111.206 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.27 -31.47 34.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.891 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -67.65 -45.46 75.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.603 -0.685 . . . . 25.0 111.586 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -70.12 -34.11 72.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -66.08 -40.89 91.21 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 112.096 0.406 . . . . 25.0 112.096 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.56 -41.27 97.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.088 0.47 . . . . 25.0 110.227 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -71.59 -41.95 68.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.233 0.539 . . . . 25.0 111.245 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.3 -33.95 76.63 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.476 -0.765 . . . . 25.0 110.918 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.34 72.12 Favored 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -78.21 -30.32 48.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.292 -0.963 . . . . 25.0 111.063 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -77.99 -42.19 33.51 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -130.52 68.03 80.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.78 136.4 49.14 Favored 'Trans proline' 0 CA--C 1.517 -0.327 0 C-N-CA 116.535 -1.843 . . . . 25.0 113.184 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.9 -19.81 2.61 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 115.85 1.1 . . . . 25.0 115.85 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -93.14 85.3 5.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.89 1.345 . . . . 25.0 108.769 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -59.82 -30.85 69.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -174.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.68 -43.56 59.02 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.727 -0.789 . . . . 25.0 109.422 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -61.83 -36.9 82.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 25.0 110.958 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -61.81 -45.52 93.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.221 -0.445 . . . . 25.0 109.878 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -63.21 -41.37 99.13 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 122.126 -0.359 . . . . 25.0 111.519 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.9 -43.04 91.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 23' ' ' ALA . 44.7 tp -67.18 -42.14 84.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.945 -0.472 . . . . 25.0 110.857 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.33 -37.05 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 O-C-N 122.154 -0.342 . . . . 25.0 110.145 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.31 -45.25 95.24 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.749 -0.594 . . . . 25.0 111.153 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -66.09 -41.42 90.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.337 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.41 -39.65 93.97 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.16 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.72 -40.34 88.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.11 -46.92 72.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 HE22 ' CG2' ' B' ' 171' ' ' VAL . 40.0 mt-30 -62.64 -38.83 91.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.724 0.297 . . . . 25.0 110.833 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -62.18 -49.22 76.67 Favored 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.23 -43.47 87.76 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.917 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -60.15 -51.21 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.327 -0.233 . . . . 25.0 110.822 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -67.12 -38.36 85.47 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 122.364 -0.21 . . . . 25.0 110.945 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.45 -46.72 87.22 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.225 -0.297 . . . . 25.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -40.66 93.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.441 . . . . 25.0 110.25 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -48.0 81.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 25.0 110.997 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -70.0 -41.51 74.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.424 -0.353 . . . . 25.0 111.068 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.32 -37.33 82.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.33 -41.6 97.29 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -65.52 -33.08 75.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.241 -0.287 . . . . 25.0 111.396 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -72.92 -46.04 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 121.949 -0.47 . . . . 25.0 111.201 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.8 -28.24 66.59 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.939 -0.704 . . . . 25.0 109.795 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.94 -40.8 87.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.214 -0.448 . . . . 25.0 110.386 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.15 98.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.036 0.446 . . . . 25.0 110.425 175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.114 -0.366 . . . . 25.0 110.921 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.21 -34.33 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.064 -0.397 . . . . 25.0 111.271 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.84 -31.34 71.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.398 0.142 . . . . 25.0 111.108 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.74 -39.85 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.143 0.497 . . . . 25.0 110.437 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.78 -61.08 1.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 49.69 41.3 21.67 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.785 1.031 . . . . 25.0 113.785 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -124.2 21.04 8.9 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 122.728 0.411 . . . . 25.0 109.952 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 53.21 54.03 10.92 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.981 1.372 . . . . 25.0 109.678 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tp60 . . . . . 0 C--O 1.215 -0.741 0 CA-C-O 124.708 2.194 . . . . 25.0 112.217 -176.368 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 123.34 1.522 . . . . 25.0 116.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.57 -34.2 23.26 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 121.149 -1.207 . . . . 25.0 110.404 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.9 ptm -162.12 173.58 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.22 167.86 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.94 140.06 58.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.041 0.448 . . . . 25.0 110.718 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.43 142.09 39.52 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.104 -1.813 . . . . 25.0 106.104 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.11 80.37 5.46 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.504 0.192 . . . . 25.0 110.711 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.9 m 49.06 42.67 21.4 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.643 0.979 . . . . 25.0 113.643 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 tp -133.61 105.99 7.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 25.0 111.176 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -132.54 24.08 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.55 -0.75 . . . . 25.0 109.204 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.6 t 55.43 27.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-O 122.511 1.148 . . . . 25.0 111.156 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.24 85.48 2.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.627 -1.169 . . . . 25.0 108.559 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.7 mtp -81.63 38.63 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.989 0.424 . . . . 25.0 111.987 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.66 45.53 3.09 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-O 119.4 -0.666 . . . . 25.0 111.986 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t0 55.09 44.66 27.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.52 1.152 . . . . 25.0 111.522 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 26.2 p -87.33 14.78 7.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.123 -0.944 . . . . 25.0 113.323 -174.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.87 116.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 33.5 t -123.21 90.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.492 0.663 . . . . 25.0 110.447 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -78.91 -28.06 0.55 Allowed Pre-proline 0 CA--C 1.56 1.327 0 N-CA-C 116.96 2.208 . . . . 25.0 116.96 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.05 54.73 5.14 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 115.461 -2.559 . . . . 25.0 114.45 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.88 78.89 3.1 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 122.944 0.497 . . . . 25.0 110.688 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -72.01 134.08 22.73 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 116.424 -1.918 . . . . 25.0 113.483 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.84 160.45 40.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.469 ' H ' ' HD2' ' B' ' 125' ' ' PRO . 0.1 OUTLIER -148.92 -45.59 0.01 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 N-CA-C 118.19 2.663 . . . . 25.0 118.19 178.578 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.469 ' HD2' ' H ' ' B' ' 124' ' ' LYS . 91.1 Cg_endo -77.9 -13.18 16.03 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.744 -3.037 . . . . 25.0 114.307 -177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 141.01 58.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.648 0.261 . . . . 25.0 111.057 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 54.5 m -135.98 125.74 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -122.17 98.4 44.49 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 121.241 0.543 . . . . 25.0 111.855 -172.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.82 136.6 15.21 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 117.211 -1.393 . . . . 25.0 114.089 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -77.12 -6.83 54.35 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.359 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.3 m 59.89 -163.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 25.0 112.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -173.94 177.86 46.04 Favored Glycine 0 C--O 1.236 0.221 0 N-CA-C 109.966 -1.254 . . . . 25.0 109.966 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.92 156.28 43.33 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 CA-C-N 119.375 1.588 . . . . 25.0 113.419 -178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.9 153.55 47.67 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 118.159 -0.761 . . . . 25.0 111.884 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.57 -61.15 1.32 Allowed Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.729 -0.748 . . . . 25.0 113.672 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 57.43 -159.8 0.25 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.085 0.554 . . . . 25.0 111.122 -179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -100.67 147.87 25.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.8 176.34 39.38 Favored Glycine 0 CA--C 1.518 0.228 0 N-CA-C 112.028 -0.429 . . . . 25.0 112.028 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -111.65 157.24 15.08 Favored Glycine 0 CA--C 1.518 0.264 0 CA-C-N 116.976 0.388 . . . . 25.0 113.321 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 41.6 m -86.31 88.6 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 25.0 110.67 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 43.1 tp -120.78 79.11 1.45 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.1 159.75 43.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.697 -1.138 . . . . 25.0 109.42 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 69.9 m -156.37 163.34 39.6 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 27.5 m -98.17 160.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.38 126.49 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.0 t -123.77 -0.88 8.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.55 0.69 . . . . 25.0 111.028 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.81 35.06 5.88 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.9 -15.58 77.13 Favored Glycine 0 C--O 1.226 -0.345 0 C-N-CA 121.0 -0.619 . . . . 25.0 113.898 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.51 151.8 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 126.59 91.1 0.78 Allowed Glycine 0 C--O 1.225 -0.426 0 N-CA-C 109.94 -1.264 . . . . 25.0 109.94 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -69.47 148.1 49.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.2 1.0 . . . . 25.0 112.815 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.46 132.19 42.27 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 43.1 m 55.24 57.94 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 116.01 1.856 . . . . 25.0 116.01 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 p -82.45 41.53 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-O 123.182 1.468 . . . . 25.0 108.489 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.82 175.77 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.474 -1.239 . . . . 25.0 109.246 -173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -84.34 109.05 16.75 Favored Pre-proline 0 C--O 1.244 0.784 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 167.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.05 -21.66 15.53 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 116.176 -2.083 . . . . 25.0 115.018 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.09 -41.88 57.82 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.338 0.59 . . . . 25.0 109.579 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.05 -38.5 81.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.83 -38.37 88.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.189 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -61.88 -41.32 97.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.062 -0.399 . . . . 25.0 111.219 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -68.68 -37.64 79.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.801 -0.562 . . . . 25.0 109.852 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.81 -48.09 75.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.277 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.35 -33.31 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -59.99 -52.79 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.66 -39.66 94.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.303 0.483 . . . . 25.0 112.303 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.63 -46.94 93.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.402 -0.222 . . . . 25.0 110.402 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.63 -39.2 90.45 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.539 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -67.02 -36.36 81.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.171 0.441 . . . . 25.0 111.633 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.09 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.954 -0.466 . . . . 25.0 110.594 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . 0.403 ' CG2' HE22 ' A' ' 44' ' ' GLN . 97.5 t -67.76 -39.58 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.93 -41.24 82.33 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 122.1 -0.375 . . . . 25.0 110.936 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.57 -33.43 47.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 116.002 1.853 . . . . 25.0 116.002 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.3 pp -69.73 -19.53 63.54 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 118.763 0.71 . . . . 25.0 109.446 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.19 -14.83 59.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.118 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 84.06 -172.39 49.49 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.348 -0.701 . . . . 25.0 111.348 -175.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -69.78 4.84 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 117.178 1.631 . . . . 25.0 117.178 -175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.1 -4.48 9.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 118.315 1.057 . . . . 25.0 111.082 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.94 84.04 2.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.784 -1.098 . . . . 25.0 108.254 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 126.313 2.958 . . . . 25.0 112.092 -176.081 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 125.336 2.493 . . . . 25.0 113.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -66.81 150.1 49.62 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 120.363 -1.46 . . . . 25.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -56.25 -30.01 61.82 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -56.04 -33.25 64.78 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.172 0.442 . . . . 25.0 111.025 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -60.46 -41.69 94.65 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.743 -0.383 . . . . 25.0 111.879 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.01 -31.27 71.7 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.449 0.642 . . . . 25.0 110.949 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.1 mm -69.31 -52.26 34.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.136 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtp -60.47 -37.68 81.8 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.991 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.34 97.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.977 0.418 . . . . 25.0 110.646 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.74 -40.08 69.63 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.838 0.828 . . . . 25.0 110.159 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.88 -38.37 90.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.977 -0.556 . . . . 25.0 111.099 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.46 -38.49 89.96 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -65.32 -48.88 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -12.44 60.66 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.727 1.01 . . . . 25.0 113.727 -175.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -123.62 14.95 9.49 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.337 -0.852 . . . . 25.0 111.845 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.86 -52.87 63.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.524 0.678 . . . . 25.0 110.639 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.47 -34.14 60.59 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.008 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -64.81 -43.17 94.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.212 0.529 . . . . 25.0 111.293 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -73.56 -35.82 65.53 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -64.84 -42.48 94.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.965 0.166 . . . . 25.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.22 -42.17 89.06 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.537 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.79 -39.42 87.78 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.285 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.87 -33.09 75.04 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.979 -0.45 . . . . 25.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.27 69.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.362 0.265 . . . . 25.0 110.569 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -70.61 -39.73 73.61 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.735 -0.603 . . . . 25.0 110.735 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -84.85 -37.52 20.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.54 67.87 75.95 Favored Pre-proline 0 C--O 1.246 0.872 0 C-N-CA 122.757 0.423 . . . . 25.0 110.86 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.91 141.48 89.81 Favored 'Trans proline' 0 C--O 1.219 -0.429 0 C-N-CA 116.581 -1.813 . . . . 25.0 112.113 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.84 -25.09 1.82 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 116.382 1.313 . . . . 25.0 116.382 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -93.11 88.02 5.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.979 1.389 . . . . 25.0 112.343 -171.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.27 -52.9 11.72 Favored 'General case' 0 C--O 1.215 -0.733 0 O-C-N 123.994 0.809 . . . . 25.0 112.693 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -59.17 -48.45 81.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 118.753 0.706 . . . . 25.0 112.007 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -62.71 -33.63 75.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.048 0.452 . . . . 25.0 111.069 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -65.64 -44.87 85.05 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 119.162 -0.447 . . . . 25.0 109.932 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -66.65 -37.09 84.09 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 119.081 0.855 . . . . 25.0 110.384 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.73 -36.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.07 -0.344 . . . . 25.0 110.07 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.6 tp -73.33 -42.6 62.11 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.275 -0.891 . . . . 25.0 110.791 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.88 -40.21 84.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.253 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -63.53 -37.27 86.69 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.249 -0.907 . . . . 25.0 111.605 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -67.41 -41.86 84.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.396 0.617 . . . . 25.0 109.472 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.78 -39.12 93.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.567 -0.742 . . . . 25.0 110.774 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.31 -40.75 90.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 118.092 0.405 . . . . 25.0 110.856 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -66.25 -52.82 43.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.719 0.295 . . . . 25.0 110.276 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -61.56 -37.12 82.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.1 -0.333 . . . . 25.0 110.1 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.65 -44.11 96.79 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.033 -0.358 . . . . 25.0 110.033 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -65.34 -44.75 86.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.382 -0.527 . . . . 25.0 111.501 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.45 -48.73 79.82 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.753 -0.379 . . . . 25.0 110.24 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -64.73 -42.15 95.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 119.577 -0.249 . . . . 25.0 111.019 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -62.38 -47.83 82.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 118.062 0.392 . . . . 25.0 110.453 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.9 tpp -66.33 -41.83 89.05 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.593 -0.443 . . . . 25.0 111.437 -176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -66.06 -40.47 90.95 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.544 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -70.87 -42.25 70.31 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.343 -0.543 . . . . 25.0 110.497 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.87 -37.87 88.62 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.71 -39.17 90.55 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 122.051 -0.406 . . . . 25.0 110.026 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -67.57 -30.79 70.51 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.033 -0.417 . . . . 25.0 112.031 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.19 -48.7 53.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.654 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.11 -27.46 65.61 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 121.721 -0.612 . . . . 25.0 109.525 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.7 tp -67.4 -40.82 85.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.403 -0.362 . . . . 25.0 110.202 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.08 85.46 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 109.103 -0.702 . . . . 25.0 109.103 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -70.22 -32.41 70.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.114 -0.366 . . . . 25.0 111.153 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.31 -41.84 93.61 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.195 -0.668 . . . . 25.0 109.195 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.35 -34.6 78.33 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.638 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -19.65 63.44 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -41.8 20.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.537 -0.912 . . . . 25.0 108.537 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -49.72 67.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 51.96 29.94 6.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -132.65 28.47 4.27 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.582 0.706 . . . . 25.0 109.802 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -131.66 112.27 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 . . . . . 0 C--O 1.217 -0.636 0 CA-C-O 124.287 1.994 . . . . 25.0 110.47 -176.865 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.21 1.45 . . . . 25.0 115.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.48 154.12 50.85 Favored 'General case' 0 CA--C 1.523 -0.09 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.97 157.26 28.53 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 -178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 t 66.99 160.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 124.804 1.315 . . . . 25.0 110.363 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 50.68 35.01 10.79 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.088 1.144 . . . . 25.0 114.088 -176.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.84 32.79 4.47 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.134 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -156.33 158.87 38.18 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 64.6 p -120.75 175.7 5.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 174.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 57.9 tp -131.8 142.85 49.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -129.33 122.02 28.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.172 -1.418 . . . . 25.0 107.172 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.6 m -143.06 144.63 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.35 154.33 20.48 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.6 mtm -135.27 169.15 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -72.95 154.01 49.25 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.224 -0.989 . . . . 25.0 110.701 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -135.85 102.41 5.05 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 71.7 p -97.98 11.91 35.96 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.029 -1.441 . . . . 25.0 111.894 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.55 156.38 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 106.986 -1.487 . . . . 25.0 106.986 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.77 94.73 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.271 11.3 mm-40 86.33 -29.52 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.992 1 N-CA-C 122.856 4.391 . . . . 25.0 122.856 177.322 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.29 78.22 3.8 Favored 'Trans proline' 0 CA--C 1.549 1.26 1 C-N-CA 113.179 -4.081 . . . . 25.0 114.197 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.6 154.8 81.95 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.058 0.543 . . . . 25.0 111.026 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.37 158.85 44.19 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 118.177 -0.749 . . . . 25.0 111.757 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.01 176.9 5.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.106 1.15 . . . . 25.0 114.106 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -23.87 -52.27 0.12 Allowed Pre-proline 0 N--CA 1.486 1.337 1 N-CA-C 122.934 4.42 . . . . 25.0 122.934 -171.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.85 -33.42 12.47 Favored 'Trans proline' 0 C--N 1.358 1.069 1 C-N-CA 112.755 -4.363 . . . . 25.0 115.818 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 40.3 27.88 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 119.097 2.999 . . . . 25.0 119.097 174.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 56.8 p -159.66 157.58 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 121.42 -0.8 . . . . 25.0 111.987 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -131.24 78.29 72.73 Favored Pre-proline 0 CA--C 1.543 0.684 0 C-N-CA 123.554 0.741 . . . . 25.0 109.778 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.61 144.64 28.53 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 N-CA-C 115.376 1.26 . . . . 25.0 115.376 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -131.7 22.49 4.65 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.2 m -74.33 153.63 39.23 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.567 -0.708 . . . . 25.0 112.714 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.88 174.74 40.86 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.78 157.71 31.52 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 121.984 1.789 . . . . 25.0 114.532 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.64 160.27 38.22 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 118.123 -0.784 . . . . 25.0 111.581 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -102.68 150.32 17.91 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 121.148 -0.548 . . . . 25.0 113.411 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 49.62 40.18 19.01 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -74.43 132.7 42.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.769 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.08 -140.83 17.22 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.297 -0.478 . . . . 25.0 112.136 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.58 0.63 87.95 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 115.511 0.964 . . . . 25.0 115.511 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -132.45 105.19 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.59 1.195 . . . . 25.0 111.267 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 45.0 tp -147.82 85.22 1.55 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.96 147.07 26.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.231 -0.293 . . . . 25.0 111.048 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.5 m -161.59 160.35 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.89 129.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.36 133.98 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.756 -1.201 . . . . 25.0 107.756 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 68.4 p -101.84 -27.06 13.22 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 41.77 37.69 0.82 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.793 -1.549 . . . . 25.0 113.96 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.74 67.92 0.5 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.979 -0.848 . . . . 25.0 110.979 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.29 136.32 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-O 121.093 0.473 . . . . 25.0 111.93 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.07 36.09 0.16 Allowed Glycine 0 C--O 1.225 -0.443 0 CA-C-O 121.528 0.515 . . . . 25.0 112.839 177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -92.93 162.98 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 115.514 1.672 . . . . 25.0 115.514 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tp -86.0 160.03 19.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.02 -0.991 . . . . 25.0 110.604 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 71.7 m -81.15 91.64 6.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.605 0.717 . . . . 25.0 110.743 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.84 4.97 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.064 0 C-N-CA 124.526 1.13 . . . . 25.0 111.605 175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 28.6 pt -122.98 166.18 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.099 0.56 . . . . 25.0 109.961 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -86.07 108.53 17.5 Favored Pre-proline 0 C--O 1.24 0.572 0 N-CA-C 107.163 -1.421 . . . . 25.0 107.163 171.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.23 -17.89 18.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 114.426 -3.249 . . . . 25.0 113.552 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.29 -52.95 59.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.275 0.56 . . . . 25.0 111.251 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.88 -36.4 69.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.62 88.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.686 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -63.49 -46.79 84.49 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.471 -0.092 . . . . 25.0 110.776 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -63.39 -40.37 97.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.647 0.737 . . . . 25.0 110.098 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.45 95.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.692 -0.685 . . . . 25.0 112.069 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 19.3 p -72.89 -33.07 65.81 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.343 -0.848 . . . . 25.0 110.749 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -64.67 -45.18 87.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -65.24 -41.34 94.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.158 -0.617 . . . . 25.0 110.876 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.66 -41.68 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.22 -34.31 77.8 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.255 -0.278 . . . . 25.0 111.162 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -73.02 -40.27 65.31 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.008 -0.677 . . . . 25.0 111.7 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.74 -45.15 94.04 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.702 -0.624 . . . . 25.0 109.77 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.55 -26.93 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.097 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -71.15 -42.78 68.69 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -28.89 61.48 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -17.74 64.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.287 -0.883 . . . . 25.0 109.97 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -78.63 -11.5 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.006 -0.543 . . . . 25.0 112.1 176.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 124.0 174.4 14.13 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 109.811 -1.315 . . . . 25.0 109.811 -175.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -105.3 -58.74 0.65 Allowed Glycine 0 C--O 1.226 -0.39 0 N-CA-C 114.932 0.733 . . . . 25.0 114.932 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 36.0 m -110.26 8.31 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.11 75.96 8.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.438 0.637 . . . . 25.0 109.822 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.2 -1.502 0 CA-C-O 124.17 1.938 . . . . 25.0 113.603 -177.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 124.164 1.935 . . . . 25.0 114.106 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -83.44 6.38 20.41 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 120.447 -1.408 . . . . 25.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.55 -27.61 50.0 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -61.03 -33.32 73.09 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.65 -0.656 . . . . 25.0 111.635 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -58.1 -47.33 83.57 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -65.76 -31.32 72.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.954 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -66.87 -51.08 59.1 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mtp -59.39 -41.16 88.76 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.483 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.53 89.21 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.999 -0.281 . . . . 25.0 110.921 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.84 -39.21 69.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.634 0.73 . . . . 25.0 110.28 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.24 -39.51 89.57 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 115.977 -0.556 . . . . 25.0 109.852 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -62.55 -35.56 79.85 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.4 m -59.22 -49.43 77.9 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -81.1 -7.86 59.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 p -117.83 4.5 12.21 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.054 -0.404 . . . . 25.0 111.885 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.61 29.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.81 0.338 . . . . 25.0 111.134 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.34 -32.09 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.334 -0.247 . . . . 25.0 110.334 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.15 -48.24 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.457 0.646 . . . . 25.0 111.112 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.81 -33.96 71.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 25.0 109.743 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.62 -43.19 94.53 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.191 -0.204 . . . . 25.0 111.129 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.65 -43.79 92.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.298 -0.251 . . . . 25.0 110.615 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.95 -42.56 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.18 -0.608 . . . . 25.0 111.691 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.85 -32.83 74.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.818 -0.551 . . . . 25.0 110.903 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.74 72.77 Favored 'General case' 0 C--O 1.21 -1.007 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -71.3 -37.52 71.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.786 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -82.87 -39.89 20.98 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.34 66.48 78.28 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 120.854 0.359 . . . . 25.0 110.475 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.72 137.45 58.85 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 116.342 -1.972 . . . . 25.0 112.976 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.85 -23.2 2.12 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 115.78 1.072 . . . . 25.0 115.78 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -91.02 86.75 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.714 1.257 . . . . 25.0 109.93 -175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -57.46 -34.45 69.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.76 -44.24 61.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.696 -176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -62.8 -37.27 86.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.888 0.375 . . . . 25.0 111.232 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.68 -45.9 92.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.97 -43.49 98.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-O 120.509 0.195 . . . . 25.0 110.856 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.58 -43.94 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 110.444 -0.206 . . . . 25.0 110.444 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.4 tp -67.25 -41.62 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.987 -0.446 . . . . 25.0 110.903 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.09 -40.96 87.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -59.32 -41.74 89.81 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.801 -0.562 . . . . 25.0 111.682 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.47 -43.86 92.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.425 0.631 . . . . 25.0 109.714 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.15 -40.13 95.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 25.0 111.398 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.62 -42.68 98.17 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -74.2 -45.28 49.33 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.148 -0.621 . . . . 25.0 110.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -59.69 -38.86 82.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.202 -0.599 . . . . 25.0 109.707 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -61.03 -49.87 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.835 -0.432 . . . . 25.0 109.835 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -59.03 -44.01 91.67 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.537 -0.465 . . . . 25.0 112.016 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.09 -46.13 88.85 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.442 -0.503 . . . . 25.0 110.639 -177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -69.65 -36.79 76.4 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.871 -0.331 . . . . 25.0 111.028 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -61.93 -47.88 82.93 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.6 tpp -66.62 -39.48 88.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.062 -0.255 . . . . 25.0 110.515 -177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.44 -48.41 81.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -70.34 -42.8 71.39 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.904 -0.318 . . . . 25.0 111.729 -176.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 tp -60.63 -39.53 88.57 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.69 -43.67 93.95 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -34.78 78.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.225 0.466 . . . . 25.0 111.9 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.07 -50.5 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.102 0.41 . . . . 25.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.6 -29.71 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.133 0.492 . . . . 25.0 110.433 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.43 -45.28 73.0 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 115.879 -0.601 . . . . 25.0 109.471 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.21 75.49 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.962 -0.295 . . . . 25.0 110.475 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.6 -40.04 88.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.884 0.373 . . . . 25.0 110.727 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tm0? -60.56 -42.68 97.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.346 . . . . 25.0 110.546 179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -71.65 -35.53 70.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.232 -0.293 . . . . 25.0 111.206 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.18 73.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 25.0 110.639 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.39 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.526 -0.306 . . . . 25.0 111.39 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.98 -56.0 2.62 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.599 0.963 . . . . 25.0 113.599 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 49.49 28.84 2.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.355 1.062 . . . . 25.0 112.921 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -123.14 51.46 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.483 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 48.17 49.59 17.33 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.978 1.37 . . . . 25.0 111.333 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--O 1.211 -0.948 0 CA-C-O 122.965 1.364 . . . . 25.0 112.148 -176.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 122.447 1.026 . . . . 25.0 115.136 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.91 -28.82 67.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.837 -0.802 . . . . 25.0 112.393 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.83 179.32 0.18 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 124.131 0.894 . . . . 25.0 110.272 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 t 66.72 140.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 114.794 1.405 . . . . 25.0 114.794 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 51.92 20.76 1.29 Allowed 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.053 2.612 . . . . 25.0 118.053 173.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.99 12.6 2.12 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.004 1.112 . . . . 25.0 114.004 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -150.14 167.73 26.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.017 0.527 . . . . 25.0 109.907 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 14.5 m 62.41 22.72 13.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . 0.544 HD23 ' H ' ' B' ' 109' ' ' LEU . 2.6 pt? -89.14 12.43 15.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 25.0 112.471 178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.88 111.4 9.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.132 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.13 118.43 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 176.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.26 36.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.985 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 60.0 mtt -138.99 169.26 18.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.16 -147.99 23.5 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.58 -1.008 . . . . 25.0 110.58 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.0 t0 56.25 65.22 1.48 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.694 1.235 . . . . 25.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 76.1 p -93.39 28.67 2.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.914 -1.039 . . . . 25.0 112.852 -175.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -125.4 133.71 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.247 0.546 . . . . 25.0 110.255 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.95 88.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 25.0 109.365 -178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.74 -44.88 99.77 Favored Pre-proline 0 CA--C 1.554 1.106 0 N-CA-C 114.932 1.456 . . . . 25.0 114.932 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.8 22.84 0.76 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 115.817 -2.322 . . . . 25.0 116.283 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.63 117.26 57.35 Favored Pre-proline 0 CA--C 1.54 0.579 0 O-C-N 121.625 -0.672 . . . . 25.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.74 146.47 60.41 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 115.808 -2.328 . . . . 25.0 110.448 173.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.92 175.61 11.88 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.293 1.4 pttp 92.77 -32.15 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.351 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.31 130.76 14.37 Favored 'Trans proline' 0 C--N 1.357 1.019 1 C-N-CA 110.821 -5.653 . . . . 25.0 111.436 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 64.2 p -142.08 170.78 15.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -134.13 116.86 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 106.921 -1.511 . . . . 25.0 106.921 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -138.96 111.92 8.08 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.52 132.68 15.01 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 116.363 -1.958 . . . . 25.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.2 p -131.3 143.74 50.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 m -163.15 172.43 14.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.74 159.07 29.0 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 109.468 -1.453 . . . . 25.0 109.468 174.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.12 150.17 25.94 Favored 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.271 1.536 . . . . 25.0 113.389 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.82 161.56 30.26 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 118.024 -0.851 . . . . 25.0 111.977 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.74 158.22 23.2 Favored Glycine 0 C--O 1.228 -0.28 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -164.19 172.45 13.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.412 -1.699 . . . . 25.0 106.412 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -149.17 158.07 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 176.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.32 -163.88 32.2 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 110.093 -1.203 . . . . 25.0 110.093 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.58 -148.9 29.67 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.935 -0.65 . . . . 25.0 112.046 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 m 55.47 37.82 29.4 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 38.1 tp -133.33 83.04 2.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -155.22 158.55 39.05 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -156.95 158.54 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.07 136.74 22.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 173.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.0 mm -85.15 138.44 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.8 t -155.63 126.93 7.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.119 -2.919 . . . . 25.0 103.119 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -133.07 11.73 4.25 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 112.924 -1.943 . . . . 25.0 109.967 -175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -108.37 52.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 114.439 -1.255 . . . . 25.0 110.105 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.57 129.62 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.553 0.216 . . . . 25.0 111.048 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.22 -117.47 1.17 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 103.541 -3.823 . . . . 25.0 103.541 173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -103.13 157.32 17.08 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.847 0.356 . . . . 25.0 111.598 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -152.95 133.07 13.43 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.2 p -85.43 66.93 9.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.355 0.598 . . . . 25.0 110.21 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.75 16.69 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 122.127 0.965 . . . . 25.0 109.753 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.5 pt -140.03 165.54 21.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.34 -0.845 . . . . 25.0 110.954 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -99.23 104.51 26.89 Favored Pre-proline 0 C--O 1.243 0.722 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.23 -19.47 38.6 Favored 'Trans proline' 0 C--N 1.347 0.499 0 N-CA-C 114.915 1.083 . . . . 25.0 114.915 -172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.78 -38.5 80.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.815 0.341 . . . . 25.0 111.053 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.03 -39.04 65.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 107.912 -1.144 . . . . 25.0 107.912 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.11 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.161 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -61.01 -45.57 94.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -68.9 -37.24 78.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.992 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.07 -47.26 68.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.4 p -67.97 -34.76 77.18 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.183 -0.607 . . . . 25.0 112.392 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -32.13 71.07 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 119.923 -0.711 . . . . 25.0 110.443 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -66.37 -42.15 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.121 -0.696 . . . . 25.0 109.121 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.54 -42.19 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.216 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -38.42 91.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.206 -0.309 . . . . 25.0 111.151 179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -66.19 -43.98 85.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.549 -0.72 . . . . 25.0 111.011 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.62 -44.91 85.06 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.04 -32.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.716 -0.393 . . . . 25.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -63.21 -35.44 80.31 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.71 -0.619 . . . . 25.0 110.265 176.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.82 -39.5 35.37 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.235 1.198 . . . . 25.0 114.235 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.2 -17.35 64.3 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.408 0.549 . . . . 25.0 109.895 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -73.46 7.65 2.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.371 172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.26 26.43 70.49 Favored Glycine 0 C--O 1.224 -0.492 0 C-N-CA 121.174 -0.536 . . . . 25.0 113.622 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.64 41.33 2.73 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.527 -0.844 . . . . 25.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 57.6 51.77 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 121.694 0.759 . . . . 25.0 112.161 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.43 89.43 1.25 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.372 1.082 . . . . 25.0 111.013 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.208 -1.11 0 CA-C-O 124.548 2.118 . . . . 25.0 112.458 174.104 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 123.766 1.746 . . . . 25.0 114.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -140.92 137.28 33.02 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 120.306 -1.496 . . . . 25.0 110.675 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -58.72 -32.08 68.87 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.304 0.573 . . . . 25.0 110.787 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -55.09 -33.32 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -59.7 -44.45 93.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.38 -30.9 69.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.984 -0.686 . . . . 25.0 110.587 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.23 -52.05 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 108.339 -0.985 . . . . 25.0 108.339 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.3 mtp -60.33 -38.56 84.14 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.768 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.89 96.16 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.119 0.418 . . . . 25.0 110.908 176.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -40.73 74.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.918 0.866 . . . . 25.0 110.261 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.9 mt -66.84 -38.48 86.5 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.624 -0.716 . . . . 25.0 110.784 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.46 -35.91 81.45 Favored 'General case' 0 C--O 1.213 -0.856 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.8 t -62.84 -53.05 60.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -10.78 60.18 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.27 0.841 . . . . 25.0 113.27 -175.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -120.14 10.96 11.52 Favored 'General case' 0 CA--C 1.511 -0.55 0 O-C-N 122.02 -0.425 . . . . 25.0 111.849 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.13 -53.62 54.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.937 0.399 . . . . 25.0 110.587 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.73 -34.84 53.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.287 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -63.65 -43.75 95.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 25.0 111.35 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.69 -35.93 67.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.04 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -65.3 -40.75 94.22 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.49 0.182 . . . . 25.0 111.49 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.17 -42.9 96.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.236 -0.29 . . . . 25.0 110.397 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -69.88 -37.77 76.16 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.227 -0.589 . . . . 25.0 111.494 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.55 -36.02 82.87 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.047 -0.408 . . . . 25.0 110.063 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.98 -35.77 77.1 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.276 -0.639 . . . . 25.0 109.276 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.69 -38.53 83.79 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.103 0.478 . . . . 25.0 110.864 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.56 -40.45 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -131.66 64.99 74.85 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.424 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.65 142.47 83.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 116.642 -1.772 . . . . 25.0 112.043 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.3 -26.93 2.13 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 115.514 0.966 . . . . 25.0 115.514 -178.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.66 85.28 6.42 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 118.365 1.083 . . . . 25.0 110.023 -174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -53.47 -44.37 68.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.02 -50.29 73.97 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.787 -0.571 . . . . 25.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.55 -34.59 78.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.973 0.416 . . . . 25.0 110.886 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -61.13 -47.18 87.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.934 -0.575 . . . . 25.0 109.822 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.03 -40.01 94.21 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 122.089 -0.382 . . . . 25.0 111.874 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.7 -44.27 96.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.809 -0.441 . . . . 25.0 109.809 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -64.63 -41.76 95.93 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.815 -0.553 . . . . 25.0 110.65 175.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.49 -40.44 81.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -58.27 -42.06 85.65 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.807 0.73 . . . . 25.0 111.678 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.4 -43.82 93.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.184 0.516 . . . . 25.0 109.72 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 HG11 ' B' ' 171' ' ' VAL . 98.8 mt -63.49 -40.52 97.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 25.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.3 -44.06 96.09 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.605 0.224 . . . . 25.0 111.605 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -69.74 -47.87 61.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.551 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -58.31 -39.47 79.44 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.85 -0.34 . . . . 25.0 110.131 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -60.53 -45.56 93.39 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.88 -0.145 . . . . 25.0 110.707 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -62.83 -45.42 92.7 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.518 -0.473 . . . . 25.0 112.048 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -63.6 -44.87 92.71 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.402 -0.519 . . . . 25.0 109.935 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -64.53 -43.73 93.07 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.21 -46.61 89.17 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 116.882 -0.145 . . . . 25.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -42.18 93.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.459 -177.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -66.49 -41.59 88.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.984 0.421 . . . . 25.0 110.754 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -69.22 -45.87 68.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.215 -0.291 . . . . 25.0 110.215 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.8 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.669 0.388 . . . . 25.0 110.739 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -59.7 -41.68 91.29 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -69.44 -31.65 70.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -73.0 -48.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 121.948 -0.47 . . . . 25.0 111.379 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -65.54 -29.18 69.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.355 0.598 . . . . 25.0 109.632 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -68.96 -43.82 74.21 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 115.889 -0.596 . . . . 25.0 110.833 176.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.43 96.82 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -63.42 -40.64 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 25.0 109.957 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -65.9 -43.85 86.98 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 112.102 0.408 . . . . 25.0 112.102 178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.26 -38.31 90.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.29 -0.256 . . . . 25.0 110.694 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.32 -28.3 66.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.616 0.228 . . . . 25.0 111.616 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.51 -23.82 50.14 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.86 0.362 . . . . 25.0 110.367 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.62 -55.73 3.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.589 0.588 . . . . 25.0 112.589 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 48.68 33.41 4.22 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.11 0.964 . . . . 25.0 112.008 -175.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -123.62 31.92 5.76 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.823 0.675 . . . . 25.0 112.823 -173.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 55.11 45.53 25.93 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.923 1.344 . . . . 25.0 109.784 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 124.489 2.09 . . . . 25.0 110.805 -177.668 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.056 0 CA-C-O 123.559 1.644 . . . . 25.0 113.737 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 64.41 179.31 0.17 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 111.59 -2.305 . . . . 25.0 111.655 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.52 173.89 15.93 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.11 145.25 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 175.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.7 46.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.569 0.699 . . . . 25.0 111.353 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.69 61.26 1.81 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.861 -0.608 . . . . 25.0 110.616 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -140.96 27.2 2.0 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.957 0.503 . . . . 25.0 111.198 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 22.4 p -114.29 25.71 10.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 -174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.2 mt -124.95 109.99 13.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.252 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.19 129.22 9.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.74 114.43 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -81.96 -43.13 18.47 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.928 0.394 . . . . 25.0 111.106 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 64.8 mtm 55.91 27.38 11.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.52 163.63 35.71 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.395 -1.082 . . . . 25.0 110.395 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -135.95 -54.52 0.76 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.441 -0.578 . . . . 25.0 109.441 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.3 p 44.68 41.36 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.999 1.481 . . . . 25.0 114.999 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.34 128.14 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.409 ' C ' ' HD3' ' B' ' 120' ' ' PRO . 14.4 p -150.38 152.47 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.56 4.42 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.438 1 N-CA-C 122.275 4.176 . . . . 25.0 122.275 176.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.409 ' HD3' ' C ' ' B' ' 118' ' ' VAL . 26.0 Cg_exo -68.39 132.64 26.12 Favored 'Trans proline' 0 C--N 1.363 1.298 1 C-N-CA 110.649 -5.767 . . . . 25.0 112.987 174.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.75 130.99 74.65 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.057 -0.402 . . . . 25.0 110.326 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.69 159.25 28.28 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 116.366 -1.956 . . . . 25.0 113.217 176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 49.7 mt 71.19 153.21 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.836 1.791 . . . . 25.0 115.836 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.31 12.8 pttt 92.86 -37.02 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 N-CA-C 120.625 3.565 . . . . 25.0 120.625 176.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.85 128.72 12.68 Favored 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 111.454 -5.231 . . . . 25.0 112.115 177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 7.4 p -148.09 11.2 0.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.444 0.64 . . . . 25.0 111.052 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.8 p -89.71 59.81 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.991 1.108 . . . . 25.0 113.991 -171.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.33 80.96 37.5 Favored Pre-proline 0 CA--C 1.546 0.825 0 CA-C-O 121.633 0.73 . . . . 25.0 111.427 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -79.22 146.47 19.91 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 N-CA-C 115.205 1.194 . . . . 25.0 115.205 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.1 p 58.74 -174.14 0.09 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.689 1.196 . . . . 25.0 114.194 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 m -120.58 16.75 12.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.229 0.538 . . . . 25.0 111.391 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.27 -175.19 55.16 Favored Glycine 0 CA--C 1.524 0.607 0 CA-C-N 115.785 -0.643 . . . . 25.0 113.633 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.14 161.43 29.36 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.623 1.549 . . . . 25.0 112.679 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 143.64 50.43 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 116.326 -1.983 . . . . 25.0 112.586 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -90.66 1.96 79.51 Favored Glycine 0 C--O 1.227 -0.34 0 C-N-CA 121.147 -0.549 . . . . 25.0 114.239 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.74 94.85 5.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.24 0.52 . . . . 25.0 111.039 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -134.46 148.51 50.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.38 -132.58 13.49 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.741 -0.742 . . . . 25.0 111.605 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.22 -26.69 20.04 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 116.226 1.25 . . . . 25.0 116.226 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 34.9 t -144.78 118.63 9.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.258 1.029 . . . . 25.0 110.826 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.26 24.49 6.29 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.57 140.46 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 25.0 112.264 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p -154.04 154.04 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 106.191 -1.781 . . . . 25.0 106.191 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.2 t -139.1 135.7 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.7 mm -99.63 120.19 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.0 t -127.14 -3.35 6.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 122.224 1.011 . . . . 25.0 111.947 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 29.67 0.6 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.109 -1.405 . . . . 25.0 112.735 -176.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.13 37.17 3.95 Favored Glycine 0 N--CA 1.459 0.232 0 N-CA-C 114.651 0.62 . . . . 25.0 114.651 -175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.01 133.19 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 117.64 0.72 . . . . 25.0 109.788 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.77 86.93 0.32 Allowed Glycine 0 C--O 1.222 -0.609 0 N-CA-C 114.395 0.518 . . . . 25.0 114.395 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -64.54 -56.73 12.12 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 122.084 0.945 . . . . 25.0 112.029 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.96 -171.13 0.16 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 113.025 -1.898 . . . . 25.0 110.439 -176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.7 p -134.41 97.1 3.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.331 0.586 . . . . 25.0 110.68 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.8 p -93.45 16.75 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-O 122.309 1.052 . . . . 25.0 109.414 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 19.0 pt -137.01 167.26 23.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.972 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.41 110.55 25.03 Favored Pre-proline 0 C--O 1.239 0.525 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.51 -23.38 14.99 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 116.622 -1.785 . . . . 25.0 115.389 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.11 -45.8 46.78 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.644 0.735 . . . . 25.0 109.931 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 85.2 t -65.85 -38.35 81.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.08 -1.452 . . . . 25.0 107.08 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.42 97.58 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.351 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -67.35 -43.31 81.8 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.156 -0.34 . . . . 25.0 111.862 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.8 -42.37 99.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.86 80.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.086 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.15 -38.36 69.19 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.613 -0.835 . . . . 25.0 110.909 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -63.8 -40.39 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.626 -0.43 . . . . 25.0 111.114 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.0 -39.31 85.35 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 121.228 0.537 . . . . 25.0 109.99 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.37 -40.86 80.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.803 -0.561 . . . . 25.0 111.347 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -39.41 93.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.945 -0.472 . . . . 25.0 111.313 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -76.05 -32.98 59.57 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.144 -0.973 . . . . 25.0 112.462 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -64.99 -42.23 94.71 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.859 -0.526 . . . . 25.0 111.671 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . 0.4 HG11 HD21 ' A' ' 41' ' ' LEU . 9.8 p -67.67 -27.97 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 122.056 -0.402 . . . . 25.0 110.728 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -66.39 -30.58 70.99 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.804 -0.56 . . . . 25.0 109.602 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -30.99 50.19 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.96 -27.97 69.76 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 122.112 0.958 . . . . 25.0 109.272 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -75.62 -34.83 60.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.523 -1.217 . . . . 25.0 111.703 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 54.45 23.56 27.62 Favored Glycine 0 C--O 1.219 -0.781 0 N-CA-C 116.121 1.209 . . . . 25.0 116.121 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -96.05 -27.24 10.38 Favored Glycine 0 C--O 1.215 -1.082 0 C-N-CA 120.595 -0.812 . . . . 25.0 114.428 -171.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 t 45.4 52.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-O 121.628 0.728 . . . . 25.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 58.48 45.67 16.18 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 125.501 2.572 . . . . 25.0 111.288 173.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.51 2.555 0 N-CA-C 116.191 1.923 . . . . 25.0 116.191 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -126.41 120.14 29.05 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 120.739 -1.226 . . . . 25.0 111.875 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -63.89 -18.97 64.72 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.967 -0.56 . . . . 25.0 111.916 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.26 -36.01 29.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -59.47 -44.8 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.06 -31.22 68.71 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 120.304 -0.559 . . . . 25.0 110.161 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -65.64 -52.19 53.55 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 43.7 mtp -61.15 -39.08 88.72 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.729 -0.388 . . . . 25.0 110.664 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -38.54 90.59 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.592 -0.443 . . . . 25.0 110.709 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.65 -40.45 69.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.93 0.871 . . . . 25.0 110.029 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.85 -43.41 83.72 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.404 -0.816 . . . . 25.0 110.72 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -65.71 -35.5 80.93 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.414 -0.958 . . . . 25.0 108.414 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.83 -51.83 66.62 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -77.15 -7.8 56.43 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.246 0.832 . . . . 25.0 113.246 -175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -122.57 14.61 10.25 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -56.18 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.143 0.497 . . . . 25.0 111.316 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.4 -34.34 61.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.526 0 CA-C-O 119.239 -0.41 . . . . 25.0 110.249 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -60.39 -35.54 75.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.772 0.714 . . . . 25.0 111.437 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -83.44 -42.58 16.79 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.572 -0.74 . . . . 25.0 111.107 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -60.64 -44.75 96.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.378 0.609 . . . . 25.0 111.054 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -68.76 -37.56 79.44 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.441 0.639 . . . . 25.0 111.286 -174.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -70.71 -40.21 72.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.745 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.603 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.77 -35.04 79.3 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.784 -0.573 . . . . 25.0 110.155 178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.28 -31.01 69.23 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-N 116.687 -0.233 . . . . 25.0 110.807 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -67.43 -41.46 84.75 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 121.872 -0.518 . . . . 25.0 110.463 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -82.55 -39.57 22.15 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 120.012 -0.675 . . . . 25.0 112.553 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.1 m-85 -131.58 65.71 76.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.61 -177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.58 144.71 85.52 Favored 'Trans proline' 0 CA--C 1.52 -0.208 0 C-N-CA 116.119 -2.121 . . . . 25.0 112.451 -176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.28 -28.71 1.98 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 115.205 0.842 . . . . 25.0 115.205 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -90.54 85.45 6.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.406 1.103 . . . . 25.0 109.943 -176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -59.51 -29.59 67.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.066 -0.515 . . . . 25.0 112.148 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -69.06 -51.18 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -35.05 79.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 25.0 110.379 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -59.61 -48.2 82.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.83 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -61.11 -44.27 97.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 117.914 0.325 . . . . 25.0 110.997 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.29 -44.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 110.423 -0.214 . . . . 25.0 110.423 -178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.7 tp -64.59 -41.78 96.03 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.758 -0.589 . . . . 25.0 110.731 175.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.79 -41.0 86.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.475 -0.765 . . . . 25.0 111.581 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -64.88 -45.22 86.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.501 . . . . 25.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -63.63 -44.98 92.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.51 -43.37 60.23 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.6 -0.84 . . . . 25.0 110.385 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -59.9 -39.09 84.18 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.961 -0.696 . . . . 25.0 109.465 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.24 -46.63 89.11 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.526 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -62.49 -43.34 99.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.78 -51.16 70.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.726 -0.102 . . . . 25.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -65.91 -39.69 90.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.308 -0.245 . . . . 25.0 111.533 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -62.16 -45.81 91.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.688 -0.486 . . . . 25.0 109.688 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -39.8 89.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.067 0.394 . . . . 25.0 111.669 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -63.94 -42.47 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.17 0.51 . . . . 25.0 110.678 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -75.52 -37.64 59.96 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.411 -0.516 . . . . 25.0 111.161 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.37 -37.38 85.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -57.14 -43.41 82.44 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 108.976 -0.749 . . . . 25.0 108.976 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -63.55 -33.61 75.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 -47.95 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.883 0.373 . . . . 25.0 110.348 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -71.55 -28.38 63.82 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.407 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.4 -44.75 78.07 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.78 -43.89 81.33 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.94 -0.392 . . . . 25.0 109.94 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -66.28 -36.9 84.15 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.928 0.394 . . . . 25.0 110.876 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.75 -40.38 95.21 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.549 0.34 . . . . 25.0 110.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.75 -39.16 90.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.73 88.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.271 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.23 -40.27 71.18 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.695 0.283 . . . . 25.0 110.454 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -48.63 78.88 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.66 . . . . 25.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -83.97 2.8 37.12 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -152.42 8.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 118.647 2.832 . . . . 25.0 118.647 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -136.2 112.69 9.99 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.168 0.985 . . . . 25.0 109.414 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 125.263 2.459 . . . . 25.0 111.368 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.068 0 CA-C-O 123.664 1.702 . . . . 25.0 116.344 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.29 73.32 5.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.257 -1.143 . . . . 25.0 111.823 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.0 mtt -72.99 140.54 47.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.369 -0.604 . . . . 25.0 109.369 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 p -150.79 155.37 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' B' ' 107' ' ' ARG . 34.1 tt0 -124.87 134.4 52.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.271 -1.011 . . . . 25.0 108.271 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.93 65.94 1.11 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' B' ' 105' ' ' GLU . 95.0 mtt180 -65.4 -20.26 66.3 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t 52.21 24.41 2.79 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.994 1.479 . . . . 25.0 114.994 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 56.3 mt 55.44 20.71 3.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.127 0.971 . . . . 25.0 113.592 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.56 62.39 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.534 0.683 . . . . 25.0 109.207 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.25 30.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.127 -0.942 . . . . 25.0 112.052 -171.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.28 136.17 52.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 43.6 tpp -93.4 -10.07 36.48 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.81 0.814 . . . . 25.0 112.602 -175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.61 25.86 57.77 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.407 -0.815 . . . . 25.0 112.447 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.46 -33.74 76.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 66.8 p 46.7 38.81 6.22 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.082 1.512 . . . . 25.0 115.082 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.2 105.17 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.2 t -126.18 110.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.406 -0.361 . . . . 25.0 110.29 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.276 3.6 tm-20 96.83 -65.94 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.627 0 N-CA-C 117.694 2.479 . . . . 25.0 117.694 175.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.69 78.34 3.7 Favored 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 114.784 -3.01 . . . . 25.0 116.061 -173.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.72 71.01 18.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.383 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.83 142.73 48.4 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 115.906 -2.262 . . . . 25.0 113.588 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -71.76 146.91 47.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.326 -0.852 . . . . 25.0 108.927 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.33 -47.42 10.32 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.06 152.34 51.05 Favored 'Trans proline' 0 C--N 1.357 1.006 1 C-N-CA 112.402 -4.599 . . . . 25.0 110.793 173.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 47.3 p -90.19 3.17 54.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.152 0.501 . . . . 25.0 110.816 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.3 m -87.32 122.0 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.123 -0.489 . . . . 25.0 110.178 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.02 124.74 88.57 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.483 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.11 130.55 10.33 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 117.084 -1.477 . . . . 25.0 113.777 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.4 t -78.72 -10.97 59.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.856 -0.527 . . . . 25.0 111.808 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 13.8 m 48.55 44.63 20.99 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.44 163.58 54.8 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.738 -0.744 . . . . 25.0 112.393 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.95 155.51 52.96 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 CA-C-N 118.648 1.224 . . . . 25.0 112.79 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -79.53 43.81 1.57 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 121.79 1.66 . . . . 25.0 113.589 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 97.38 -174.54 29.74 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -98.0 109.1 21.91 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.811 -0.229 . . . . 25.0 110.89 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 64.77 167.44 0.17 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.763 1.225 . . . . 25.0 113.934 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.89 47.82 0.96 Allowed Glycine 0 C--O 1.219 -0.794 0 CA-C-N 115.515 -0.766 . . . . 25.0 112.069 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 96.7 41.74 3.53 Favored Glycine 0 C--O 1.223 -0.564 0 C-N-CA 120.816 -0.707 . . . . 25.0 114.17 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.3 m -76.9 52.72 0.87 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.077 0.769 . . . . 25.0 113.077 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.79 67.72 1.16 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.2 mt -135.18 165.56 25.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.801 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 67.3 p -145.73 159.83 42.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.021 -2.585 . . . . 25.0 104.021 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.2 t -130.74 134.4 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.047 -0.353 . . . . 25.0 110.047 -175.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 4.2 mt -76.46 128.82 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 10.7 t -115.49 -5.0 12.24 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.785 0.661 . . . . 25.0 112.785 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 44.58 34.8 1.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.065 1.506 . . . . 25.0 115.065 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.24 9.63 69.31 Favored Glycine 0 N--CA 1.459 0.233 0 N-CA-C 114.898 0.719 . . . . 25.0 114.898 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.7 t -138.75 135.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.21 -104.54 1.5 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 110.295 -1.122 . . . . 25.0 110.295 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.54 169.76 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.718 0.407 . . . . 25.0 110.099 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 58.3 tp -74.25 137.26 42.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 27.8 p -78.95 64.43 3.89 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.636 -0.875 . . . . 25.0 108.636 173.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.32 -0.47 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.988 . . . . 25.0 113.225 -173.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.1 170.3 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 122.046 -0.409 . . . . 25.0 111.652 -177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.46 110.9 3.1 Favored Pre-proline 0 C--O 1.243 0.747 0 C-N-CA 122.74 0.416 . . . . 25.0 110.255 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.67 -24.27 13.72 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 116.774 -1.684 . . . . 25.0 115.259 -171.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.19 -50.43 54.34 Favored 'General case' 0 CA--C 1.507 -0.711 0 O-C-N 121.703 -0.623 . . . . 25.0 112.555 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . 0.403 HG12 ' H ' ' B' ' 159' ' ' VAL . 1.7 p -68.61 -26.46 33.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.18 -44.48 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.567 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -64.87 -46.12 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.458 0.647 . . . . 25.0 111.222 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -63.21 -38.37 90.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.44 -43.07 82.03 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.19 -34.71 73.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.484 -0.886 . . . . 25.0 110.057 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -64.53 -46.35 83.27 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.18 -46.2 89.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.057 0.456 . . . . 25.0 110.462 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.4 -45.05 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.365 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.8 -41.09 97.31 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.962 -0.461 . . . . 25.0 111.102 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -67.73 -35.56 78.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.62 0.646 . . . . 25.0 111.24 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -63.81 -40.02 95.63 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.664 -0.647 . . . . 25.0 110.729 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.39 -40.69 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.15 -36.38 77.4 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 121.675 -0.641 . . . . 25.0 110.724 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 51.7 mt -75.22 -35.82 61.42 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.65 -25.14 67.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.758 0.708 . . . . 25.0 109.648 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -63.15 -28.81 70.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.462 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -63.07 -11.91 40.97 Favored Glycine 0 C--O 1.225 -0.426 0 C-N-CA 121.456 -0.402 . . . . 25.0 113.895 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -66.82 -57.9 9.11 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.957 -0.64 . . . . 25.0 112.669 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.9 0.07 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 116.276 1.954 . . . . 25.0 116.276 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -97.94 72.86 2.24 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.182 0.991 . . . . 25.0 109.529 -177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.21 -0.974 0 CA-C-O 124.378 2.037 . . . . 25.0 112.264 -178.4 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 125.23 2.443 . . . . 25.0 114.065 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -62.84 -27.99 69.71 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 119.566 -1.959 . . . . 25.0 110.612 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.59 -37.32 75.54 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.717 -0.674 . . . . 25.0 110.382 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -80.36 -35.49 35.38 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 111.735 0.272 . . . . 25.0 111.735 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.66 -42.49 92.97 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.336 0.495 . . . . 25.0 112.336 -175.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -63.32 -31.24 72.34 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 120.82 -0.352 . . . . 25.0 110.802 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.53 -52.98 24.58 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.892 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.19 -37.68 80.96 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.748 -0.381 . . . . 25.0 110.858 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.72 99.05 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.874 -0.33 . . . . 25.0 110.733 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.14 -40.01 71.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.969 0.89 . . . . 25.0 110.372 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.19 -39.65 89.84 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 115.402 -0.817 . . . . 25.0 110.949 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -67.83 -36.69 80.8 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 t -64.44 -52.12 59.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -9.26 55.29 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -125.15 13.55 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.959 -0.463 . . . . 25.0 111.572 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.91 -54.07 51.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.45 . . . . 25.0 110.828 -176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.97 -31.15 49.33 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 CA-C-N 116.106 -0.497 . . . . 25.0 109.84 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.19 -46.0 75.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.79 -0.569 . . . . 25.0 111.33 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -67.68 -36.95 81.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.21 -41.99 93.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.741 -0.209 . . . . 25.0 111.494 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -65.54 -43.52 89.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.019 0.372 . . . . 25.0 110.441 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.78 -42.05 86.69 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.921 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -33.14 74.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.871 -0.518 . . . . 25.0 110.426 178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -31.03 68.24 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 122.235 0.214 . . . . 25.0 110.947 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -68.46 -43.21 77.5 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 121.944 -0.472 . . . . 25.0 109.75 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -80.66 -38.38 29.21 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -173.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -132.07 66.5 77.65 Favored Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 116.228 -0.442 . . . . 25.0 110.435 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.96 141.74 78.75 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 116.468 -1.888 . . . . 25.0 112.61 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -25.77 1.93 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.773 1.069 . . . . 25.0 115.773 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -91.75 85.5 5.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 118.724 1.262 . . . . 25.0 110.201 -173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.72 -44.01 63.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.8 -47.59 82.81 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.508 -0.477 . . . . 25.0 110.927 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.86 -35.34 80.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.969 0.414 . . . . 25.0 111.342 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -62.69 -45.46 92.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -61.81 -41.71 98.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 O-C-N 122.038 -0.414 . . . . 25.0 111.658 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.7 mt -60.37 -44.02 95.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.8 tp -66.67 -42.46 86.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.787 0.267 . . . . 25.0 111.164 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -59.31 -39.42 78.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -57.03 -40.3 76.46 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.14 0.427 . . . . 25.0 111.579 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -66.34 -42.46 88.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.378 0.608 . . . . 25.0 110.111 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.76 -39.38 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.925 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -63.56 -42.55 98.35 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.476 0.179 . . . . 25.0 111.333 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.51 -50.5 58.52 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.609 -0.436 . . . . 25.0 110.545 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.74 -38.48 81.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.751 0.31 . . . . 25.0 111.43 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.02 -45.22 93.51 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -64.95 -43.06 93.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.37 -49.96 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.124 -0.23 . . . . 25.0 110.754 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -67.22 -39.24 86.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.645 -0.252 . . . . 25.0 111.015 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -61.27 -48.56 80.88 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 tpp -65.82 -40.44 91.84 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.581 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.93 -43.69 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 25.0 110.69 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -73.56 -43.73 59.13 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.032 -0.417 . . . . 25.0 110.847 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.69 -38.25 84.33 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 122.864 0.466 . . . . 25.0 110.173 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -59.4 -38.55 80.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.199 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.91 -32.59 70.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.006 -0.434 . . . . 25.0 111.625 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.82 -45.04 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 121.961 -0.462 . . . . 25.0 111.104 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.65 -29.48 68.79 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 119.939 -0.704 . . . . 25.0 109.39 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' HE21 ' A' ' 62' ' ' GLN . 50.0 tp -68.31 -39.21 82.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.441 175.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.85 97.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.38 -37.24 77.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 25.0 110.71 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.413 HE21 ' HG ' ' A' ' 58' ' ' LEU . 62.6 mt-30 -66.35 -35.5 80.5 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.021 -0.424 . . . . 25.0 111.044 177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.59 -27.51 66.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.456 0.169 . . . . 25.0 111.456 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.19 -39.98 31.98 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.112 0.482 . . . . 25.0 110.497 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.48 -51.83 15.76 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 50.29 23.52 1.24 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.129 1.529 . . . . 25.0 115.129 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -123.15 3.11 9.28 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.083 1.512 . . . . 25.0 115.083 -175.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -126.01 91.41 3.38 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.188 0.994 . . . . 25.0 110.174 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 C--O 1.215 -0.737 0 CA-C-O 124.837 2.256 . . . . 25.0 110.758 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 CA-C-O 122.626 1.125 . . . . 25.0 115.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.77 166.15 33.79 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.17 163.56 31.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.31 155.88 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -144.85 131.41 19.88 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.53 65.97 8.05 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -75.85 42.58 0.24 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 -176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -91.46 132.63 36.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -124.75 131.32 53.46 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -153.77 43.55 0.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.777 0.322 . . . . 25.0 111.74 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.01 114.35 19.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.917 0.865 . . . . 25.0 109.252 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.63 163.65 29.79 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 73.6 mtm -120.03 7.91 10.93 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.21 -7.43 71.7 Favored Glycine 0 C--O 1.216 -0.983 0 N-CA-C 115.883 1.113 . . . . 25.0 115.883 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -77.46 -57.34 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.118 0.961 . . . . 25.0 113.216 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 80.6 p -128.28 20.23 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.272 1.034 . . . . 25.0 109.903 -171.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.58 133.97 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.252 -1.34 . . . . 25.0 111.846 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -126.02 115.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 103.09 -2.93 . . . . 25.0 103.09 173.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -54.99 -52.08 74.0 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 115.964 1.839 . . . . 25.0 115.964 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.53 -40.9 3.69 Favored 'Trans proline' 0 C--N 1.354 0.851 1 C-N-CA 112.976 -4.216 . . . . 25.0 114.665 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -175.89 136.62 0.49 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 123.777 0.831 . . . . 25.0 108.893 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -72.53 139.43 31.33 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 115.472 -2.552 . . . . 25.0 109.095 166.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.0 mt -140.9 165.28 27.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -173.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.316 0.9 OUTLIER 96.69 -35.69 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 N-CA-C 121.316 3.821 . . . . 25.0 121.316 172.21 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.75 98.89 1.16 Allowed 'Trans proline' 0 C--N 1.357 1.009 1 C-N-CA 112.828 -4.315 . . . . 25.0 113.411 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 11.6 t -156.25 176.14 13.07 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.0 p -150.68 69.75 0.99 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 25.0 109.626 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -111.72 89.61 11.39 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.61 147.02 35.15 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 116.49 -1.873 . . . . 25.0 112.488 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 60.5 p -125.79 9.77 7.64 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 32.9 t -79.84 147.46 31.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.248 -0.283 . . . . 25.0 110.257 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.45 174.84 43.2 Favored Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.98 -0.848 . . . . 25.0 110.98 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.54 161.07 40.54 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 119.007 1.403 . . . . 25.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.6 131.39 22.82 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 116.394 -1.937 . . . . 25.0 112.208 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -101.5 20.51 46.33 Favored Glycine 0 C--O 1.224 -0.478 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 57.4 t30 50.63 52.3 15.16 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 117.506 0.653 . . . . 25.0 112.04 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -57.81 132.39 53.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 25.0 111.986 -177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.18 155.15 24.98 Favored Glycine 0 C--O 1.228 -0.243 0 C-N-CA 121.182 -0.532 . . . . 25.0 112.985 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.36 67.3 3.73 Favored Glycine 0 C--O 1.221 -0.672 0 N-CA-C 114.35 0.5 . . . . 25.0 114.35 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m 52.72 51.29 16.29 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.002 0.742 . . . . 25.0 113.002 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.15 47.29 0.89 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.382 0.61 . . . . 25.0 112.365 -178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.54 137.71 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.863 -0.523 . . . . 25.0 109.959 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 79.2 p -158.81 161.47 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.4 p -147.67 148.87 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 104.708 -2.33 . . . . 25.0 104.708 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -90.82 119.19 37.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.641 -1.244 . . . . 25.0 107.641 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.3 t -131.36 -3.0 3.86 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.336 0.588 . . . . 25.0 111.46 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 50.26 21.07 0.73 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.831 1.789 . . . . 25.0 115.831 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.99 15.8 36.07 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 116.547 1.379 . . . . 25.0 116.547 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 51.6 t -138.21 124.37 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 117.278 0.539 . . . . 25.0 109.774 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 80.52 45.9 7.68 Favored Glycine 0 C--O 1.218 -0.856 0 N-CA-C 117.242 1.657 . . . . 25.0 117.242 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.52 -61.92 1.84 Allowed 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.8 tp 63.72 142.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 116.069 1.877 . . . . 25.0 116.069 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.5 m -114.58 80.6 1.43 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.483 -0.761 . . . . 25.0 110.94 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.1 9.74 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 122.508 1.147 . . . . 25.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.6 pt -131.31 167.39 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.785 -1.098 . . . . 25.0 109.11 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.33 108.64 15.16 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 105.769 -1.937 . . . . 25.0 105.769 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.1 -21.48 18.02 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 116.495 -1.87 . . . . 25.0 114.593 -174.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -72.66 -45.85 56.86 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.58 -39.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.892 -1.049 . . . . 25.0 108.534 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.127 0.417 . . . . 25.0 112.127 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -67.24 -39.13 86.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.167 0.508 . . . . 25.0 110.714 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -69.03 -34.64 75.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.207 -0.597 . . . . 25.0 110.653 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.05 99.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.455 -0.339 . . . . 25.0 111.821 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.01 -32.77 63.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.056 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -57.15 -43.47 82.53 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.804 -0.443 . . . . 25.0 109.804 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -66.47 -40.5 89.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.051 0.453 . . . . 25.0 111.596 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.44 -43.38 96.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -38.04 89.64 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.11 -0.636 . . . . 25.0 110.674 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.78 -37.16 76.25 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.298 -0.876 . . . . 25.0 110.766 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -63.74 -45.13 91.26 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.868 -0.52 . . . . 25.0 112.036 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.73 -30.63 47.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.693 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.9 -42.18 99.69 Favored 'General case' 0 C--O 1.215 -0.748 0 O-C-N 121.968 -0.457 . . . . 25.0 110.182 176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.15 -31.13 49.57 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 115.508 1.67 . . . . 25.0 115.508 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 pp -72.03 -17.54 62.02 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.665 -0.814 . . . . 25.0 109.606 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -74.05 -20.16 60.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 25.0 111.222 174.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 128.79 -156.74 21.23 Favored Glycine 0 C--O 1.219 -0.841 0 N-CA-C 109.799 -1.32 . . . . 25.0 109.799 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.97 -28.95 48.53 Favored Glycine 0 C--O 1.22 -0.779 0 C-N-CA 120.5 -0.857 . . . . 25.0 112.218 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 46.81 35.75 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.114 0.966 . . . . 25.0 113.581 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -139.42 123.02 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.214 -0.799 0 CA-C-O 125.253 2.454 . . . . 25.0 111.793 -179.588 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 61.29 10.08 2.87 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 125.703 1.601 . . . . 25.0 112.574 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.01 -43.41 70.05 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.028 1.492 . . . . 25.0 115.028 -173.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -59.64 -35.55 74.61 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.186 -0.946 . . . . 25.0 112.431 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -61.79 -43.66 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.835 -0.541 . . . . 25.0 112.422 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -69.29 -30.62 68.75 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.784 -0.766 . . . . 25.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.12 -49.68 83.1 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.0 mtp -63.8 -32.68 74.27 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.76 87.39 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.21 68.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.425 0.631 . . . . 25.0 109.557 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' B' ' 155' ' ' ILE . 21.9 mt -64.93 -39.81 94.07 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.196 0.522 . . . . 25.0 109.719 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.02 -37.68 88.29 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.452 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -58.25 -52.59 64.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.708 0.29 . . . . 25.0 111.238 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -14.84 59.7 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -174.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -122.8 16.33 10.18 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.737 -0.385 . . . . 25.0 111.812 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.57 -51.07 64.12 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 121.356 0.598 . . . . 25.0 111.252 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.78 -33.45 37.8 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 CA-C-N 115.999 -0.546 . . . . 25.0 109.592 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.39 -45.36 91.46 Favored 'General case' 0 C--O 1.245 0.836 0 O-C-N 121.849 -0.532 . . . . 25.0 111.423 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -70.55 -38.28 74.12 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.58 -44.39 90.82 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.12 -38.97 92.36 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.074 -0.25 . . . . 25.0 111.499 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -69.3 -41.41 76.79 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.737 -0.785 . . . . 25.0 110.492 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.57 -33.54 76.15 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.752 -0.592 . . . . 25.0 110.441 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.95 64.79 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 110.524 -0.176 . . . . 25.0 110.524 176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.55 -38.88 74.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.919 -0.488 . . . . 25.0 110.72 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -83.1 -38.16 22.83 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.04 0.755 . . . . 25.0 113.04 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -131.36 67.02 79.87 Favored Pre-proline 0 C--O 1.246 0.898 0 CA-C-O 121.24 0.543 . . . . 25.0 111.551 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.79 141.72 79.72 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 116.416 -1.922 . . . . 25.0 111.964 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.77 -27.45 2.59 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 116.546 1.378 . . . . 25.0 116.546 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -92.64 85.7 5.35 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 117.452 0.626 . . . . 25.0 110.17 -171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -59.39 -31.71 69.49 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -68.26 -49.88 57.62 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.4 mm100 -61.45 -36.8 81.41 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.762 0.791 . . . . 25.0 111.226 178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.75 -46.08 91.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.323 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -63.04 -39.76 95.69 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.241 0.543 . . . . 25.0 112.015 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 33' ' ' GLN . 60.7 mt -58.43 -45.25 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.46 177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.5 tp -68.53 -40.55 80.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.567 -0.708 . . . . 25.0 110.095 177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.7 -38.03 69.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -60.93 -42.01 97.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.63 -0.669 . . . . 25.0 112.282 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -66.04 -41.5 90.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.442 0.639 . . . . 25.0 109.981 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.61 -39.14 92.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 25.0 111.228 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.84 -44.77 95.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.839 0.311 . . . . 25.0 111.839 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.36 -48.36 67.69 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.385 -0.526 . . . . 25.0 109.904 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.76 -37.47 84.41 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.268 -0.27 . . . . 25.0 111.579 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -61.75 -43.77 98.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.68 -44.28 86.69 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 121.06 -0.256 . . . . 25.0 111.346 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.74 -48.48 80.53 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 121.314 -0.154 . . . . 25.0 110.598 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.05 -43.7 91.48 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.651 0.241 . . . . 25.0 111.651 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -63.36 -45.94 88.81 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 121.055 -0.258 . . . . 25.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -37.92 84.43 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.158 -0.617 . . . . 25.0 111.15 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -63.95 -43.97 94.21 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.244 0.545 . . . . 25.0 110.038 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.98 -39.21 63.83 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.233 -0.587 . . . . 25.0 111.737 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.4 -37.48 87.46 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -58.01 -43.02 86.43 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -66.17 -30.84 71.39 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.441 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.75 -48.69 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.64 -0.663 . . . . 25.0 110.238 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -68.76 -27.8 66.22 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.64 -42.99 85.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.952 -0.388 . . . . 25.0 109.952 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.53 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -64.59 -39.33 93.54 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.906 0.384 . . . . 25.0 110.681 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -65.55 -38.2 88.91 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 122.218 -0.302 . . . . 25.0 110.743 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -63.67 -35.57 80.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.25 -23.6 62.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.09 25.79 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 110.055 -0.35 . . . . 25.0 110.055 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.58 -48.87 63.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 41.63 54.24 3.77 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.2 tttp 61.78 62.82 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.767 1.025 . . . . 25.0 113.767 176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -119.43 125.21 48.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.202 -1.412 0 CA-C-O 125.647 2.642 . . . . 25.0 111.112 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.945 0 CA-C-O 123.863 1.813 . . . . 25.0 115.963 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.15 -22.72 35.97 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.473 -1.016 . . . . 25.0 111.551 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.25 -178.59 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.483 1.114 . . . . 25.0 112.316 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 175.83 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 109.071 -0.715 . . . . 25.0 109.071 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 63.49 20.37 12.21 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 174.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.87 66.54 4.36 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.107 -0.497 . . . . 25.0 109.909 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -139.11 132.13 29.52 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 121.705 -0.622 . . . . 25.0 111.962 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 78.4 p -154.97 169.23 24.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 52.6 mt -141.31 147.28 37.9 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -134.5 43.79 2.73 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.197 0.453 . . . . 25.0 110.733 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.5 t 67.07 107.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 C-N-CA 124.744 1.218 . . . . 25.0 111.502 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.95 164.26 16.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.14 -0.936 . . . . 25.0 111.27 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.7 mtp 62.98 -155.98 0.33 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.221 1.009 . . . . 25.0 112.448 178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.82 -133.04 11.24 Favored Glycine 0 C--O 1.229 -0.162 0 N-CA-C 107.482 -2.247 . . . . 25.0 107.482 -170.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.42 -15.87 63.7 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 117.758 0.779 . . . . 25.0 112.63 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 44.1 p 46.84 42.73 12.44 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.228 1.195 . . . . 25.0 114.228 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.45 118.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.9 p -145.19 140.89 22.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 -177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 44.1 43.76 1.27 Allowed Pre-proline 0 CA--C 1.557 1.25 0 N-CA-C 118.415 2.746 . . . . 25.0 118.415 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -82.47 -5.61 11.77 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 114.447 -3.235 . . . . 25.0 112.706 174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.58 159.06 41.91 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.044 -174.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -68.68 174.88 7.89 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 118.069 -0.82 . . . . 25.0 110.101 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.0 mt -22.71 103.41 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 116.229 1.937 . . . . 25.0 116.229 -174.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -77.38 -37.56 1.69 Allowed Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 118.182 2.66 . . . . 25.0 118.182 -174.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.78 135.46 28.08 Favored 'Trans proline' 0 C--N 1.354 0.854 1 C-N-CA 112.361 -4.626 . . . . 25.0 116.171 -170.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 18.11 8.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.004 -0.998 . . . . 25.0 111.692 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.6 t 57.32 43.1 24.0 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.347 0.594 . . . . 25.0 111.855 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.91 116.74 46.96 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.38 -175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.74 153.78 20.08 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 116.35 -1.967 . . . . 25.0 111.837 175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -76.59 -21.89 54.98 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.502 -0.749 . . . . 25.0 111.983 175.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 58.81 -167.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.308 1.005 . . . . 25.0 112.17 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 171.86 169.13 34.31 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-O 118.864 -0.965 . . . . 25.0 111.216 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.61 164.22 34.26 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 CA-C-N 119.089 1.445 . . . . 25.0 112.769 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -70.34 157.76 58.29 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 116.928 -1.581 . . . . 25.0 113.408 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -145.23 -169.0 13.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 109.704 -1.358 . . . . 25.0 109.704 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 53.0 t30 57.42 29.69 17.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.622 0.769 . . . . 25.0 112.38 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -104.66 -27.15 12.0 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.344 0.593 . . . . 25.0 110.777 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.76 172.35 46.99 Favored Glycine 0 C--O 1.218 -0.864 0 CA-C-N 115.617 -0.72 . . . . 25.0 113.541 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -172.18 35.0 0.14 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.2 m -123.61 53.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.026 0.441 . . . . 25.0 111.165 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 tp -129.67 58.66 1.63 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.855 -0.611 . . . . 25.0 110.169 -177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -146.9 161.12 41.39 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.591 -1.262 . . . . 25.0 107.591 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.6 p -152.96 159.54 42.95 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 82.9 t -77.09 138.98 19.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.1 128.38 26.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.3 t -123.13 -3.08 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.213 0.53 . . . . 25.0 112.079 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.92 24.33 0.84 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 176.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -110.93 33.91 5.63 Favored Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 116.093 1.197 . . . . 25.0 116.093 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.96 133.45 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.6 -102.82 0.96 Allowed Glycine 0 CA--C 1.505 -0.58 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -129.87 158.35 39.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.821 0.343 . . . . 25.0 111.421 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 48.2 tp -149.89 133.57 16.76 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.4 p -118.47 66.53 0.76 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 -173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.19 -2.9 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-O 122.382 1.087 . . . . 25.0 111.522 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . 0.408 HD13 HD23 ' A' ' 11' ' ' LEU . 35.3 pt -95.19 167.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 123.303 0.641 . . . . 25.0 110.932 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.29 110.28 13.14 Favored Pre-proline 0 C--O 1.253 1.255 0 N-CA-C 104.49 -2.411 . . . . 25.0 104.49 165.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -74.24 -22.39 16.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 115.4 -2.6 . . . . 25.0 114.099 -172.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.86 -50.17 63.37 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -32.59 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.36 89.04 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.012 -0.43 . . . . 25.0 110.385 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -65.97 -42.96 89.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.181 -0.303 . . . . 25.0 110.181 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.09 -40.13 94.14 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.445 -0.784 . . . . 25.0 109.915 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.28 96.25 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.959 -0.564 . . . . 25.0 112.079 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.0 p -70.61 -34.72 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.103 -0.998 . . . . 25.0 110.281 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.62 -45.86 88.29 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.11 -39.71 93.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.55 -47.6 90.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.667 0 CA-C-O 119.082 -0.485 . . . . 25.0 109.766 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.39 -41.27 93.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.532 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.91 -39.64 93.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.898 0.38 . . . . 25.0 111.605 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -64.19 -41.08 97.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.121 -0.362 . . . . 25.0 111.361 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.71 -36.55 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.292 -0.563 . . . . 25.0 109.485 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.0 -37.89 81.03 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.923 -0.485 . . . . 25.0 110.574 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -78.26 -39.8 39.05 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 115.146 1.535 . . . . 25.0 115.146 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.11 -11.88 59.89 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.467 0.651 . . . . 25.0 111.056 -178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -73.48 -10.8 60.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.762 -0.654 . . . . 25.0 112.546 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -102.35 -148.82 21.28 Favored Glycine 0 C--O 1.217 -0.917 0 N-CA-C 111.255 -0.738 . . . . 25.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 83.67 -54.53 4.96 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 121.191 -0.528 . . . . 25.0 114.125 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.63 5.39 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.34 108.54 13.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.608 0.718 . . . . 25.0 110.126 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.576 1.655 . . . . 25.0 112.259 177.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpp . . . . . 0 N--CA 1.508 2.459 0 N-CA-C 116.8 2.148 . . . . 25.0 116.8 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -55.2 -42.79 73.75 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 119.925 -1.734 . . . . 25.0 113.068 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -65.48 -37.19 86.1 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 122.322 -0.237 . . . . 25.0 111.254 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -66.03 -35.41 80.47 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 110.427 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -59.58 -36.91 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -68.99 -31.04 69.58 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 119.649 -0.82 . . . . 25.0 110.13 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.33 -49.4 72.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.742 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mmm -55.89 -47.28 77.69 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.572 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.32 86.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 121.013 -0.275 . . . . 25.0 111.062 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' B' ' 155' ' ' ILE . . . -71.92 -41.92 67.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 25.0 110.578 -176.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.74 -42.47 90.94 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.301 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.3 -31.16 71.27 Favored 'General case' 0 C--O 1.214 -0.816 0 N-CA-C 108.99 -0.744 . . . . 25.0 108.99 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.4 m -68.38 -49.53 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.51 -10.99 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.659 -0.65 . . . . 25.0 112.649 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.9 p -117.04 13.25 14.78 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 122.046 -0.409 . . . . 25.0 110.806 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 -54.35 46.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.876 0.37 . . . . 25.0 110.749 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.11 -34.59 59.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -65.2 -43.47 91.48 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.614 -0.679 . . . . 25.0 111.707 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -71.89 -35.3 69.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.46 -44.79 86.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.585 -0.279 . . . . 25.0 111.105 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.72 -44.06 94.69 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.193 -0.317 . . . . 25.0 110.182 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -63.54 -44.6 93.7 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.194 -0.602 . . . . 25.0 110.982 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -35.66 81.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.997 -0.439 . . . . 25.0 111.007 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.34 72.58 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 110.122 -0.325 . . . . 25.0 110.122 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -68.46 -37.05 79.85 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.941 -0.475 . . . . 25.0 110.762 176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -80.81 -43.14 20.53 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' HE2' HD22 ' A' ' 37' ' ' LEU . 40.9 m-85 -132.07 67.51 79.25 Favored Pre-proline 0 C--O 1.24 0.581 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 -176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.65 140.37 74.42 Favored 'Trans proline' 0 C--O 1.222 -0.284 0 C-N-CA 117.275 -1.35 . . . . 25.0 112.193 -175.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.65 -24.44 3.21 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.488 0.955 . . . . 25.0 115.488 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -89.06 84.02 6.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 118.257 1.029 . . . . 25.0 110.899 -175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -50.31 -47.2 55.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -64.9 -46.16 82.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.619 -0.676 . . . . 25.0 112.34 -177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -35.75 81.69 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.764 -0.585 . . . . 25.0 110.267 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -61.75 -45.4 94.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.092 -0.503 . . . . 25.0 110.262 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.68 -43.27 99.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.886 -0.509 . . . . 25.0 111.517 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -62.29 -41.82 93.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.936 -0.394 . . . . 25.0 109.936 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.6 tp -63.86 -45.7 88.28 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.125 -0.359 . . . . 25.0 110.708 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.44 -39.75 82.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 N-CA-C 110.149 -0.315 . . . . 25.0 110.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -56.29 -46.0 79.96 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.546 -0.721 . . . . 25.0 112.72 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -67.72 -38.83 84.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.253 0.549 . . . . 25.0 110.265 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -41.39 92.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.835 -0.621 . . . . 25.0 111.585 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.84 -41.81 86.77 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 25.0 111.308 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.28 -48.66 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.779 -0.368 . . . . 25.0 110.708 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.43 -37.59 86.44 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.943 -0.303 . . . . 25.0 111.025 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -59.54 -48.79 80.28 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.78 -44.34 90.67 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.14 -48.29 82.29 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.629 -0.429 . . . . 25.0 110.045 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -67.66 -36.96 81.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.171 -0.331 . . . . 25.0 111.129 -178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.89 -49.36 75.12 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 110.431 -0.211 . . . . 25.0 110.431 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -39.54 92.76 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 110.87 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -65.39 -42.26 92.83 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.902 -0.319 . . . . 25.0 110.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.56 -42.56 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.651 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.16 -38.87 77.45 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 122.532 0.333 . . . . 25.0 110.284 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.74 -44.12 85.84 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.78 -35.58 81.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.541 0.2 . . . . 25.0 111.541 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.13 -49.31 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.781 0.324 . . . . 25.0 110.756 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -70.61 -31.27 68.19 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.967 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.91 -41.62 91.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.255 -0.429 . . . . 25.0 109.892 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.16 75.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.041 0.448 . . . . 25.0 110.214 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.97 -38.4 79.36 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.912 -0.492 . . . . 25.0 111.05 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.21 -38.58 89.71 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.47 -0.144 . . . . 25.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.37 -40.21 93.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.053 -0.405 . . . . 25.0 110.741 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 -29.97 68.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.757 0.313 . . . . 25.0 111.422 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -26.13 59.95 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.732 0.301 . . . . 25.0 110.712 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -88.94 -54.9 3.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.759 0.651 . . . . 25.0 112.759 -177.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 48.42 34.38 4.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.926 0.89 . . . . 25.0 113.001 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -109.07 -5.62 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -148.75 116.39 6.25 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.436 -0.95 . . . . 25.0 108.436 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 123.448 1.594 . . . . 25.0 113.333 -179.363 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.783 0 CA-C-O 123.881 1.823 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -154.18 157.04 38.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 113.113 -1.543 . . . . 25.0 107.986 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -148.63 142.22 25.45 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 105.489 -2.041 . . . . 25.0 105.489 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.1 158.74 32.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -140.63 153.21 45.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.79 -0.819 . . . . 25.0 108.79 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.91 91.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -72.0 138.51 48.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.4 t -147.29 -179.39 6.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.81 48.8 20.56 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.064 0.935 . . . . 25.0 112.062 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -112.16 15.66 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.194 -0.912 . . . . 25.0 110.23 -178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.0 175.28 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 70.75 113.41 0.05 Allowed 'General case' 0 N--CA 1.475 0.823 0 O-C-N 125.793 1.933 . . . . 25.0 113.151 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 65.9 mtt -84.11 153.49 23.7 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.571 -1.64 . . . . 25.0 106.571 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.99 145.99 50.07 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.653 -0.784 . . . . 25.0 112.145 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -125.86 99.92 6.16 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 103.451 -2.796 . . . . 25.0 103.451 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 68.6 p -112.84 28.83 8.46 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.898 -1.501 . . . . 25.0 110.416 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.79 127.85 32.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.11 164.86 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 104.326 -2.472 . . . . 25.0 104.326 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.287 31.3 tt0 66.94 -97.04 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 116.6 -1.667 . . . . 25.0 112.442 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.72 78.96 3.5 Favored 'Trans proline' 0 C--N 1.37 1.686 1 C-N-CA 111.844 -4.971 . . . . 25.0 114.154 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.2 67.07 2.2 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.114 0.566 . . . . 25.0 111.107 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.66 137.34 22.41 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 115.113 -2.792 . . . . 25.0 113.531 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.96 178.17 7.45 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' B' ' 125' ' ' PRO . 2.4 mptp? -119.26 -44.8 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 115.863 1.801 . . . . 25.0 115.863 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.431 ' HD2' ' H ' ' B' ' 124' ' ' LYS . 87.8 Cg_endo -73.03 166.62 29.54 Favored 'Trans proline' 0 C--N 1.351 0.694 1 C-N-CA 112.985 -4.21 . . . . 25.0 110.698 177.114 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p -81.7 8.97 8.62 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.844 0.313 . . . . 25.0 111.844 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 2.4 t 65.49 178.69 0.2 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.332 1.053 . . . . 25.0 111.322 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.93 160.22 63.75 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.85 164.15 34.63 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.754 -1.03 . . . . 25.0 112.409 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 32.3 p -77.04 1.18 18.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 30.7 p -81.02 142.1 33.72 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.4 179.73 35.73 Favored Glycine 0 C--O 1.236 0.269 0 CA-C-O 119.335 -0.703 . . . . 25.0 112.176 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.69 154.06 49.04 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 CA-C-N 118.927 1.363 . . . . 25.0 113.619 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.46 165.41 27.39 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 118.487 -0.542 . . . . 25.0 113.213 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -99.37 -173.57 31.16 Favored Glycine 0 CA--C 1.518 0.254 0 N-CA-C 110.264 -1.134 . . . . 25.0 110.264 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -73.88 163.57 27.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -145.03 153.16 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.68 -173.86 42.3 Favored Glycine 0 C--O 1.227 -0.331 0 O-C-N 123.087 0.242 . . . . 25.0 113.598 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.35 13.37 52.03 Favored Glycine 0 C--O 1.224 -0.485 0 N-CA-C 114.993 0.757 . . . . 25.0 114.993 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.5 m -111.17 94.14 4.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 122.663 0.385 . . . . 25.0 111.088 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.27 92.65 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 91.4 mt -117.77 138.05 52.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 25.0 109.573 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 66.1 m -154.48 155.4 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.77 143.31 22.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.027 -1.471 . . . . 25.0 107.027 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 40.8 mm -109.62 128.31 65.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -116.13 -2.92 12.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.558 0.694 . . . . 25.0 111.2 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 49.86 33.64 6.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.99 -1.459 . . . . 25.0 114.911 175.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.44 8.73 71.93 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 117.139 1.615 . . . . 25.0 117.139 -176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.01 142.68 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 176.82 38.48 0.05 OUTLIER Glycine 0 C--O 1.221 -0.69 0 N-CA-C 118.271 2.068 . . . . 25.0 118.271 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -78.68 -76.08 0.21 Allowed 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 32.9 tp 62.28 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.11 1.364 . . . . 25.0 114.094 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 54.4 m -145.12 106.15 4.16 Favored 'General case' 0 C--O 1.219 -0.508 0 O-C-N 121.347 -0.845 . . . . 25.0 109.058 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 18.3 m -104.03 24.54 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 123.352 0.661 . . . . 25.0 110.675 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . 0.449 HD12 ' HB1' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -128.19 -179.32 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 -179.257 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -77.61 110.91 14.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 171.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.14 -19.83 13.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 116.38 -1.946 . . . . 25.0 115.273 -174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -78.98 -39.96 32.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.436 0.636 . . . . 25.0 110.021 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 64.0 t -64.02 -39.52 85.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.95 84.38 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.741 0.305 . . . . 25.0 111.539 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -59.68 -47.54 85.24 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 25.0 109.759 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -68.47 -37.25 79.98 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.92 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.08 -50.34 72.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.652 -0.249 . . . . 25.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.1 p -68.37 -33.19 73.81 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.864 -0.334 . . . . 25.0 111.422 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.49 -52.25 66.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.286 . . . . 25.0 110.282 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -67.2 -37.9 84.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.97 0.414 . . . . 25.0 111.216 -177.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.06 -45.87 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 122.122 -0.361 . . . . 25.0 110.971 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.07 -38.47 86.33 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.984 -0.448 . . . . 25.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.35 -33.54 71.59 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -45.57 93.56 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.47 -35.28 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.276 -0.42 . . . . 25.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -59.67 -40.97 89.53 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.42 -20.78 60.64 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.35 -18.84 65.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.484 0.659 . . . . 25.0 110.471 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -90.93 -12.31 36.45 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.168 -0.923 . . . . 25.0 111.727 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.84 50.63 Favored Glycine 0 C--O 1.224 -0.529 0 N-CA-C 108.435 -1.866 . . . . 25.0 108.435 -171.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.21 5.08 57.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 115.789 1.076 . . . . 25.0 115.789 -176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.33 1.98 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 121.927 0.87 . . . . 25.0 111.73 -174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -146.24 101.62 3.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.207 -1.147 0 CA-C-O 123.615 1.674 . . . . 25.0 111.374 -179.66 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtm . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -56.94 -45.15 82.99 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 120.933 -1.104 . . . . 25.0 112.78 -175.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -64.09 -36.09 82.87 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.928 -0.483 . . . . 25.0 110.43 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -69.57 -33.15 72.31 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.049 -0.407 . . . . 25.0 111.159 178.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -59.89 -41.49 91.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.936 0.335 . . . . 25.0 110.834 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -62.98 -34.4 77.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.698 -0.401 . . . . 25.0 110.358 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 mm -68.78 -53.49 26.5 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.7 mtp -61.86 -34.91 76.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.222 0.453 . . . . 25.0 112.222 -175.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.51 90.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.01 0.433 . . . . 25.0 110.242 176.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.24 69.95 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.255 0.55 . . . . 25.0 110.256 -177.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.9 mt -66.09 -39.44 90.02 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -60.42 -36.99 79.45 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.308 -0.406 . . . . 25.0 110.69 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.7 t -60.59 -52.04 66.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.822 0.344 . . . . 25.0 111.569 -178.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -13.84 60.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -175.239 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.8 p -115.51 11.75 16.01 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.546 -0.462 . . . . 25.0 111.827 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -55.63 29.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 25.0 111.068 -177.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.2 -32.68 51.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 110.335 -0.246 . . . . 25.0 110.335 -178.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.87 -46.53 84.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.452 0.644 . . . . 25.0 111.46 -177.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -72.85 -36.35 67.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.33 -0.619 . . . . 25.0 109.33 -178.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -65.16 -45.05 86.52 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 111.709 0.263 . . . . 25.0 111.709 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -65.43 -42.19 92.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.72 0.295 . . . . 25.0 110.96 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -65.78 -42.78 90.38 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.107 -0.637 . . . . 25.0 110.784 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.68 -33.2 75.38 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.471 -0.768 . . . . 25.0 110.674 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.73 70.53 Favored 'General case' 0 C--O 1.21 -0.975 0 N-CA-C 111.796 0.295 . . . . 25.0 111.796 179.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -72.15 -23.93 61.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.365 -0.934 . . . . 25.0 111.102 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -90.51 -39.26 12.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -132.22 68.65 80.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.935 -178.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.17 137.88 49.58 Favored 'Trans proline' 0 CA--C 1.519 -0.264 0 C-N-CA 115.713 -2.392 . . . . 25.0 112.46 -174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.15 -24.71 1.99 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 116.453 1.341 . . . . 25.0 116.453 -178.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -89.56 90.33 8.22 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 118.891 1.345 . . . . 25.0 110.232 -174.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -53.57 -41.2 66.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.361 -0.836 . . . . 25.0 112.96 -179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.53 -49.63 68.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.74 -0.6 . . . . 25.0 110.355 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -62.59 -34.1 76.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.34 0.59 . . . . 25.0 111.588 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -64.12 -45.81 86.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.873 176.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -62.36 -41.58 98.72 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 118.146 0.43 . . . . 25.0 111.477 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.36 -42.81 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.722 0.296 . . . . 25.0 110.322 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 23' ' ' ALA . 27.1 tp -67.79 -43.1 80.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.831 -0.543 . . . . 25.0 110.732 176.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.36 -38.01 76.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 122.265 -0.272 . . . . 25.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -57.24 -43.28 82.8 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.662 -0.649 . . . . 25.0 111.865 177.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.1 -42.58 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.766 0.793 . . . . 25.0 109.337 179.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.04 -38.55 91.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.945 -0.571 . . . . 25.0 110.764 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.78 -47.36 81.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.002 0.364 . . . . 25.0 111.148 178.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -65.06 -51.38 61.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.401 -0.363 . . . . 25.0 111.256 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.76 -38.4 90.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.753 -0.203 . . . . 25.0 111.179 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.5 -43.97 97.9 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.403 -0.592 . . . . 25.0 109.403 177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.91 -45.6 91.73 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.237 -0.585 . . . . 25.0 111.827 178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -61.75 -48.89 78.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.637 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.03 -42.57 99.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 25.0 110.944 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.26 -44.6 91.23 Favored 'General case' 0 C--O 1.21 -1.01 0 C-N-CA 120.78 -0.368 . . . . 25.0 111.568 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -38.0 89.51 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.08 -0.648 . . . . 25.0 110.447 -178.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.59 -47.29 79.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.038 0.447 . . . . 25.0 110.217 176.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -68.0 -42.65 80.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 25.0 110.955 -176.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 tp -61.76 -36.55 81.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.966 -0.383 . . . . 25.0 109.966 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -60.83 -41.5 95.92 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.51 -36.0 82.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.11 -0.369 . . . . 25.0 111.319 178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.16 -46.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 122.021 -0.425 . . . . 25.0 111.709 -177.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -65.7 -32.8 74.55 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 178.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.54 -41.92 87.98 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.089 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.37 93.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.82 0.343 . . . . 25.0 110.286 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -70.3 -38.81 75.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.854 0.359 . . . . 25.0 110.235 178.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.3 -38.05 89.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.26 -0.275 . . . . 25.0 111.03 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -66.24 -36.2 82.39 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 121.694 -0.629 . . . . 25.0 110.963 177.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.67 -27.64 66.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.706 0.288 . . . . 25.0 111.039 177.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -21.81 46.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.046 0.45 . . . . 25.0 110.747 176.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -94.15 -51.95 4.6 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.649 0.611 . . . . 25.0 112.649 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 51.43 27.29 3.65 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.062 1.345 . . . . 25.0 112.913 -176.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -123.4 62.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 25.0 110.375 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -80.7 73.8 7.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.353 1.073 . . . . 25.0 108.897 178.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 . . . . . 0 C--O 1.207 -1.142 0 CA-C-O 124.533 2.111 . . . . 25.0 110.989 -176.544 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.601 0 CA-C-O 123.634 1.685 . . . . 25.0 115.417 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.25 134.9 44.56 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 66.6 mtt -86.53 114.55 23.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 179.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 22.2 m -136.48 157.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.492 -0.929 . . . . 25.0 108.492 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -86.24 49.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.532 0.682 . . . . 25.0 109.802 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.01 -174.72 0.14 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.773 1.229 . . . . 25.0 111.952 -176.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -149.38 160.04 43.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 105.957 -1.868 . . . . 25.0 105.957 179.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -118.61 123.14 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 175.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -160.26 152.76 20.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.157 -2.164 . . . . 25.0 105.157 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . 48.9 37.39 9.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 m -84.65 67.01 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.482 0.658 . . . . 25.0 111.22 -177.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.03 178.82 9.85 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 24.3 ptp -140.63 160.11 40.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.073 -1.454 . . . . 25.0 107.073 176.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -157.39 11.55 0.26 Allowed Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.807 -0.711 . . . . 25.0 113.389 175.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.59 76.83 1.05 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.097 0.951 . . . . 25.0 110.104 -173.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 60.6 p -96.89 1.08 50.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.176 -0.92 . . . . 25.0 112.597 -175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.44 126.66 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.2 t -88.32 73.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.38 1.086 . . . . 25.0 110.206 -176.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.06 -40.78 31.09 Favored Pre-proline 0 CA--C 1.553 1.06 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 175.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -79.32 68.69 8.21 Favored 'Trans proline' 0 CA--C 1.55 1.324 0 C-N-CA 116.344 -1.97 . . . . 25.0 115.516 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.61 74.7 12.17 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 122.979 0.511 . . . . 25.0 112.159 177.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.17 143.87 55.18 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 116.379 -1.947 . . . . 25.0 112.175 179.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -82.08 135.76 35.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.218 -0.446 . . . . 25.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 37.1 ttpt 92.24 -79.95 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 127.453 2.301 . . . . 25.0 114.992 175.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.91 153.87 42.53 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 110.468 -5.888 . . . . 25.0 110.468 176.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.78 15.68 3.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 -173.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 33.6 m -93.7 115.91 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.201 -179.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.82 158.35 75.49 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 175.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.76 157.36 55.54 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 117.412 -1.259 . . . . 25.0 112.867 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.1 t -145.44 158.73 43.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 178.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 81.3 p -158.32 175.05 14.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 -176.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.88 163.41 34.19 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 109.833 -1.307 . . . . 25.0 109.833 176.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -78.49 155.08 28.01 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 CA-C-N 119.211 1.505 . . . . 25.0 114.147 -176.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -75.17 159.07 41.17 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 118.276 -0.683 . . . . 25.0 112.004 174.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.05 35.13 2.34 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 114.501 0.561 . . . . 25.0 114.501 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -107.13 97.84 7.56 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.337 -0.507 . . . . 25.0 111.091 -178.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -157.45 160.84 38.74 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 179.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.87 172.65 45.44 Favored Glycine 0 C--O 1.224 -0.508 0 N-CA-C 110.044 -1.222 . . . . 25.0 110.044 179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -153.08 36.35 0.77 Allowed Glycine 0 C--O 1.226 -0.362 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.37 -177.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.3 m -119.35 47.4 1.7 Allowed 'General case' 0 N--CA 1.47 0.558 0 O-C-N 122.462 -0.434 . . . . 25.0 112.154 -176.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.76 80.04 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 25.0 109.06 -178.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.75 160.83 41.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 25.0 110.272 -177.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 22.1 t -158.43 170.42 22.26 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.459 -2.052 . . . . 25.0 105.459 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.11 134.66 42.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.4 mp -71.27 121.8 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 27.6 p -105.63 74.78 1.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 122.688 1.232 . . . . 25.0 111.674 -178.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -141.41 44.61 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 112.943 -1.935 . . . . 25.0 107.255 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.15 8.27 69.77 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 116.743 1.457 . . . . 25.0 116.743 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.4 p -146.27 148.94 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -178.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -136.79 -104.61 0.71 Allowed Glycine 0 C--O 1.226 -0.373 0 N-CA-C 111.337 -0.705 . . . . 25.0 111.337 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.59 158.74 33.87 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -178.285 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 120.67 26.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.149 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.9 m 48.73 44.07 21.29 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 175.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 2.1 p -68.82 -7.06 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -176.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.31 170.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 O-C-N 121.878 -0.514 . . . . 25.0 111.262 -177.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -59.21 111.0 3.14 Favored Pre-proline 0 C--O 1.246 0.911 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 173.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.05 -23.67 10.35 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 116.501 -1.866 . . . . 25.0 115.255 -173.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -72.43 -46.92 52.87 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.79 0.805 . . . . 25.0 109.86 -176.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.61 -37.91 81.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.42 83.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -67.22 -41.97 84.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.269 0.557 . . . . 25.0 110.368 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -63.76 -36.75 84.91 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.688 -0.632 . . . . 25.0 109.654 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.06 97.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.51 -33.04 64.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 119.411 -0.916 . . . . 25.0 111.636 -177.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.44 -46.38 86.65 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.47 -45.74 92.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.906 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.33 -44.4 98.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 -177.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.87 -42.35 79.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.845 -0.428 . . . . 25.0 109.845 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -66.57 -36.88 83.71 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -179.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -62.79 -38.53 91.04 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.61 -32.03 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 122.094 -0.379 . . . . 25.0 111.141 178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.25 -26.51 65.72 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.558 -0.714 . . . . 25.0 110.236 174.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.35 -29.61 47.63 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.699 -0.626 . . . . 25.0 112.578 178.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.39 -15.59 60.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.849 0.833 . . . . 25.0 109.946 174.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -95.99 13.43 27.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.184 -0.916 . . . . 25.0 112.734 -178.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 109.91 -18.32 29.09 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 114.892 0.717 . . . . 25.0 114.892 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 70.31 25.6 75.42 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-N 117.878 0.839 . . . . 25.0 112.283 176.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 54.96 43.24 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.418 0.628 . . . . 25.0 111.05 -179.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 59.95 79.78 0.22 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.487 1.137 . . . . 25.0 112.893 178.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.488 1.428 0 C-N-CA 125.156 1.382 . . . . 25.0 113.357 176.639 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 122.933 1.349 . . . . 25.0 112.63 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -71.65 -28.7 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.679 -1.263 . . . . 25.0 108.822 178.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -61.86 -25.18 67.37 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.937 -0.477 . . . . 25.0 111.942 176.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -82.63 -35.58 26.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.163 0.506 . . . . 25.0 110.994 175.435 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -62.54 -37.78 87.46 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 -176.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -65.8 -32.83 74.57 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 119.957 -0.697 . . . . 25.0 110.262 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.43 -51.22 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 178.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.4 mtp -59.77 -33.04 71.17 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.487 0.551 . . . . 25.0 112.487 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.24 82.21 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.948 -0.47 . . . . 25.0 111.185 175.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.66 -39.28 70.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.55 0.69 . . . . 25.0 109.581 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.92 -38.06 89.46 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.04 -42.22 93.98 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 123.187 0.305 . . . . 25.0 110.898 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.4 t -61.1 -51.83 67.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.261 0.553 . . . . 25.0 112.132 -177.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -10.8 59.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 -174.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -121.38 9.35 10.33 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.76 27.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.077 0.465 . . . . 25.0 110.848 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 p -72.09 -30.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.527 -0.306 . . . . 25.0 110.273 -178.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.02 -48.52 70.84 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.456 -0.777 . . . . 25.0 110.584 -178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -71.47 -35.57 70.88 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -178.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.87 -45.07 87.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 178.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -62.13 -43.51 98.68 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -66.14 -42.32 89.24 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.866 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.0 79.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.856 -0.527 . . . . 25.0 110.965 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.87 -34.67 75.84 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-O 120.955 0.407 . . . . 25.0 109.909 177.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -69.49 -36.28 76.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.481 0.658 . . . . 25.0 110.766 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -83.52 -40.09 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -133.45 67.28 75.81 Favored Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 122.697 0.399 . . . . 25.0 110.57 -175.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.95 143.03 84.17 Favored 'Trans proline' 0 C--O 1.218 -0.51 0 C-N-CA 116.359 -1.961 . . . . 25.0 112.323 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.97 -26.37 1.46 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -87.81 82.97 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 118.73 1.265 . . . . 25.0 109.264 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -58.0 -32.85 68.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 111.811 0.3 . . . . 25.0 111.811 -176.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.09 -48.65 62.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.342 0.591 . . . . 25.0 110.751 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -64.37 -35.42 80.84 Favored 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 121.854 -0.528 . . . . 25.0 109.982 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -59.71 -48.0 83.42 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.072 176.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -65.73 -39.45 91.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 118.303 0.501 . . . . 25.0 110.72 -177.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.74 -43.34 97.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.326 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.64 -43.36 93.91 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.751 -0.38 . . . . 25.0 110.995 175.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -58.44 -39.61 75.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.646 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.512 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.2 -44.5 88.13 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.774 -0.579 . . . . 25.0 111.386 177.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.28 -40.53 93.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.38 -37.41 86.92 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.804 -0.56 . . . . 25.0 111.342 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.22 -44.79 87.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.067 0.461 . . . . 25.0 110.747 179.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -66.58 -49.23 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.538 -0.301 . . . . 25.0 110.325 -176.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -61.93 -37.43 84.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.942 0.401 . . . . 25.0 110.993 178.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.32 -43.89 98.12 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.879 -0.328 . . . . 25.0 110.327 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -63.06 -44.2 96.46 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.569 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.15 -52.19 66.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.785 0.266 . . . . 25.0 110.666 -178.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.15 -37.78 86.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 25.0 111.091 -178.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -63.23 -50.47 70.08 Favored 'General case' 0 C--O 1.212 -0.912 0 C-N-CA 120.88 -0.328 . . . . 25.0 111.063 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.8 tpp -67.17 -39.04 86.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.038 0.447 . . . . 25.0 111.293 -177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -61.56 -41.58 97.58 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.991 -0.443 . . . . 25.0 111.357 175.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -73.35 -46.24 50.4 Favored 'General case' 0 C--O 1.209 -1.041 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.443 179.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.6 tp -57.84 -38.92 76.51 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 123.31 0.644 . . . . 25.0 111.167 -179.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -59.61 -41.94 91.5 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.686 -0.486 . . . . 25.0 109.686 178.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -70.87 -34.05 71.23 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 178.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.18 -47.06 76.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 121.97 -0.456 . . . . 25.0 110.015 -177.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.51 -29.73 66.31 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.07 -41.03 95.45 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 116.489 -0.323 . . . . 25.0 110.262 176.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.63 91.67 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -64.24 -40.7 96.56 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 122.046 -0.408 . . . . 25.0 111.374 177.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -66.14 -38.28 87.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.234 0.54 . . . . 25.0 110.59 179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -65.66 -39.15 91.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.886 -0.509 . . . . 25.0 109.96 178.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.73 64.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.204 0.315 . . . . 25.0 111.743 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 -26.16 59.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.658 0.266 . . . . 25.0 110.664 176.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -90.9 -48.6 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 54.13 29.36 10.28 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.269 1.028 . . . . 25.0 112.495 -175.586 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -81.51 51.37 1.65 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -175.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 45.74 54.82 7.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.647 1.213 . . . . 25.0 112.505 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 124.96 2.314 . . . . 25.0 111.676 -178.729 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.244 0 CA-C-O 124.957 2.421 . . . . 25.0 113.572 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.29 -11.66 58.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.362 -1.919 . . . . 25.0 111.74 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 15.5 tpt -80.37 140.74 35.92 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.11 161.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.916 -1.142 . . . . 25.0 107.916 -177.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.29 163.19 24.49 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 142.51 32.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 178.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.94 107.6 17.15 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -179.076 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.3 93.23 5.88 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.008 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tp 65.38 -173.53 0.18 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.308 1.005 . . . . 25.0 111.388 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -139.32 106.16 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 p -146.39 136.99 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 103.664 -2.717 . . . . 25.0 103.664 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.68 155.79 49.91 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 94.8 mtp -79.72 153.44 29.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.22 162.01 34.78 Favored Glycine 0 C--O 1.223 -0.589 0 N-CA-C 109.43 -1.468 . . . . 25.0 109.43 174.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -81.01 -64.45 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.205 0.526 . . . . 25.0 110.184 -179.008 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -142.56 12.29 1.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.837 0.827 . . . . 25.0 111.882 -177.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.7 t -117.43 122.27 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 -176.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 m -123.5 94.92 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 113.675 0.991 . . . . 25.0 113.675 -175.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.67 13.16 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.388 1 N-CA-C 124.218 4.896 . . . . 25.0 124.218 172.232 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -83.35 11.58 3.24 Favored 'Trans proline' 0 C--N 1.363 1.319 1 C-N-CA 112.88 -4.28 . . . . 25.0 112.919 173.089 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.59 114.57 39.86 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 114.892 1.441 . . . . 25.0 114.892 -169.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.29 156.16 50.94 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.746 -1.703 . . . . 25.0 109.92 169.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.12 165.64 35.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 63.9 pttt 48.44 31.03 0.11 Allowed Pre-proline 0 CA--C 1.558 1.274 1 N-CA-C 122.462 4.245 . . . . 25.0 122.462 176.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -80.3 -14.95 11.63 Favored 'Trans proline' 0 C--N 1.355 0.877 1 C-N-CA 112.499 -4.534 . . . . 25.0 112.035 169.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.5 p -93.25 152.77 18.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.383 0.673 . . . . 25.0 111.602 -176.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 89.0 p -142.15 39.17 1.6 Allowed 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -125.45 98.34 35.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.119 -0.491 . . . . 25.0 112.047 -177.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.7 145.53 16.22 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 117.728 -1.048 . . . . 25.0 113.078 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 71.1 p -105.27 -16.98 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -176.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -155.82 158.53 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.538 -0.726 . . . . 25.0 109.214 -178.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 151.12 176.18 23.73 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.414 -0.674 . . . . 25.0 111.414 177.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.4 161.51 40.05 Favored 'Trans proline' 0 C--O 1.24 0.6 0 CA-C-N 118.468 1.134 . . . . 25.0 110.779 176.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -79.68 36.28 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 N-CA-C 113.885 0.687 . . . . 25.0 113.885 178.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.57 111.8 1.55 Allowed Glycine 0 C--O 1.219 -0.843 0 CA-C-O 121.69 0.606 . . . . 25.0 112.939 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -154.19 163.94 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.194 -0.592 . . . . 25.0 109.694 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -147.66 175.7 10.68 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.554 -1.276 . . . . 25.0 107.554 177.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 87.58 176.03 48.44 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.834 -0.698 . . . . 25.0 113.747 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 137.84 170.28 11.83 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 107.899 -2.08 . . . . 25.0 107.899 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.0 m 50.95 30.98 5.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.6 1.333 . . . . 25.0 114.6 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -83.92 56.63 3.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.58 0.705 . . . . 25.0 110.313 -178.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.65 148.67 24.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.334 -177.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 65.6 p -152.09 163.94 38.29 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 178.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 13.8 p -145.63 147.49 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -177.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.72 127.09 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.898 -1.149 . . . . 25.0 107.898 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 41.4 p -116.07 71.03 0.77 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.529 1.157 . . . . 25.0 111.299 -177.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -139.08 18.67 2.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 113.114 -1.857 . . . . 25.0 110.423 -176.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.54 2.63 84.88 Favored Glycine 0 C--O 1.224 -0.488 0 CA-C-N 115.235 -0.893 . . . . 25.0 114.069 -176.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 91.8 t -136.04 125.86 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.134 -1.432 . . . . 25.0 107.134 179.045 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 135.5 93.08 0.4 Allowed Glycine 0 C--O 1.216 -1.0 0 N-CA-C 111.721 -0.552 . . . . 25.0 111.721 -177.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.51 156.24 35.35 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 122.206 -0.585 . . . . 25.0 110.09 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -108.69 126.61 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.49 0.662 . . . . 25.0 111.984 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 57.7 m -134.29 95.7 3.45 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.267 -0.879 . . . . 25.0 109.474 175.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 8.7 p -91.55 13.0 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 122.781 1.277 . . . . 25.0 108.232 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.8 pt -139.24 165.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 -179.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -87.66 108.78 22.07 Favored Pre-proline 0 C--O 1.246 0.921 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 170.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.74 -22.55 23.74 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 115.382 -2.612 . . . . 25.0 115.209 -170.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.11 -38.94 63.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.463 0.649 . . . . 25.0 111.17 -178.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.66 -38.1 81.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 177.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.51 -34.0 71.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.626 -0.715 . . . . 25.0 111.615 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -64.35 -47.37 79.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.304 0.573 . . . . 25.0 109.773 178.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.97 -39.66 86.42 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.05 94.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 26.7 p -73.49 -29.46 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 119.302 -0.959 . . . . 25.0 110.905 -178.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.45 -45.85 92.57 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.53 0.205 . . . . 25.0 110.576 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -66.06 -41.35 90.9 Favored 'General case' 0 N--CA 1.461 0.087 0 O-C-N 121.901 -0.499 . . . . 25.0 111.175 177.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.15 -47.42 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 121.029 -0.268 . . . . 25.0 110.897 -178.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.53 -38.16 90.05 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.198 -0.314 . . . . 25.0 110.987 179.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.15 -45.28 92.61 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.687 -0.633 . . . . 25.0 111.622 177.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -63.79 -42.18 97.79 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.794 -0.566 . . . . 25.0 110.078 -179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.62 -35.26 74.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.47 -36.96 85.87 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.624 -0.672 . . . . 25.0 110.937 174.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.31 -25.98 51.77 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.25 -20.22 65.91 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-O 121.968 0.889 . . . . 25.0 109.292 172.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -97.44 19.91 12.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.255 -0.884 . . . . 25.0 111.41 -177.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.52 81.34 Favored Glycine 0 C--O 1.219 -0.826 0 C-N-CA 121.106 -0.568 . . . . 25.0 113.606 179.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 82.16 -57.9 4.96 Favored Glycine 0 C--O 1.217 -0.922 0 CA-C-O 121.224 0.347 . . . . 25.0 113.566 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 33.8 m -96.72 19.88 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 122.833 0.453 . . . . 25.0 111.791 -176.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 56.81 61.33 2.66 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 122.051 0.929 . . . . 25.0 112.094 179.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 49.8 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.739 2.209 . . . . 25.0 109.933 176.572 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.517 2.893 0 N-CA-C 116.537 2.051 . . . . 25.0 116.537 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -117.78 45.72 1.9 Allowed 'General case' 0 C--O 1.219 -0.526 0 O-C-N 120.291 -1.506 . . . . 25.0 108.994 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -27.1 6.57 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 116.274 1.953 . . . . 25.0 116.274 -172.074 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -59.73 -29.84 68.41 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.923 -0.486 . . . . 25.0 112.266 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.01 -50.04 75.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -176.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.0 pm0 -67.92 -29.96 69.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 120.384 -0.527 . . . . 25.0 111.145 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -62.99 -53.05 51.59 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -65.34 -30.56 71.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.055 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.85 95.88 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.058 -0.401 . . . . 25.0 110.6 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.36 78.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.468 0.651 . . . . 25.0 109.852 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.5 -40.92 96.54 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.727 -0.67 . . . . 25.0 109.717 179.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -62.72 -38.85 92.1 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.508 177.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.3 m -60.35 -46.06 91.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -12.96 56.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.174 1.175 . . . . 25.0 114.174 -176.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.2 p -121.16 8.7 10.37 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 -178.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.01 11.62 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.137 0.494 . . . . 25.0 110.92 -177.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.93 -34.74 56.88 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.816 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.15 -45.08 90.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.812 0.815 . . . . 25.0 112.094 -176.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -74.07 -34.33 63.99 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.462 -0.57 . . . . 25.0 109.462 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.2 -39.38 92.75 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 111.806 0.298 . . . . 25.0 111.806 177.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -63.12 -45.66 90.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -67.52 -39.45 85.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.22 0.533 . . . . 25.0 111.859 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.78 -35.04 79.6 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 122.073 -0.392 . . . . 25.0 110.719 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.53 -30.54 64.56 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 120.609 0.242 . . . . 25.0 110.416 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -65.88 -39.02 90.27 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 121.788 -0.57 . . . . 25.0 110.165 176.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -84.22 -36.79 22.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -177.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -132.3 66.74 77.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.21 -178.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -63.83 141.19 77.28 Favored 'Trans proline' 0 CA--C 1.518 -0.29 0 C-N-CA 115.929 -2.247 . . . . 25.0 112.736 -177.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.79 -27.11 2.27 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 115.666 1.026 . . . . 25.0 115.666 -178.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.22 90.94 7.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 119.208 1.504 . . . . 25.0 111.416 -173.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -54.47 -43.52 71.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.34 -0.845 . . . . 25.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.8 -48.57 73.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.988 0.423 . . . . 25.0 110.644 -176.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -63.13 -33.93 76.53 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.15 0.5 . . . . 25.0 111.489 178.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.48 -46.15 87.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.288 -0.415 . . . . 25.0 110.59 175.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -62.58 -41.45 98.94 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 118.136 0.426 . . . . 25.0 111.721 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.46 -42.27 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.089 0.471 . . . . 25.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 55.2 tp -69.07 -41.25 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.886 -0.509 . . . . 25.0 110.861 178.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.6 mt -61.4 -37.59 78.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 122.279 -0.263 . . . . 25.0 110.447 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -59.69 -47.74 84.44 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.14 -40.45 94.45 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.759 0.79 . . . . 25.0 110.642 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.95 -42.01 97.44 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.272 -0.877 . . . . 25.0 111.905 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -68.73 -34.54 75.8 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.351 0.978 . . . . 25.0 111.779 179.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -64.04 -51.72 62.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 25.0 109.856 176.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -63.5 -36.68 84.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.074 -0.512 . . . . 25.0 111.162 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -60.67 -48.47 81.63 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 116.296 -0.411 . . . . 25.0 109.893 178.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.44 -46.7 89.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.924 177.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.56 -47.28 86.24 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.578 -0.449 . . . . 25.0 111.309 -178.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -65.02 -43.2 93.24 Favored 'General case' 0 C--O 1.22 -0.455 0 O-C-N 122.438 -0.163 . . . . 25.0 110.935 178.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -61.65 -51.9 66.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 119.832 -0.128 . . . . 25.0 111.059 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -39.1 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.87 0.367 . . . . 25.0 111.758 -174.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -67.72 -42.79 81.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.641 -0.424 . . . . 25.0 111.034 178.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -68.27 -43.08 78.58 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 -178.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.65 -40.62 83.97 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.424 177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -59.51 -41.96 91.14 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.19 -33.68 72.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -68.94 -47.95 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.834 -0.541 . . . . 25.0 109.823 179.297 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.31 -32.15 69.79 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.8 -43.27 96.79 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 177.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.31 78.2 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.272 0.558 . . . . 25.0 110.863 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -73.87 -37.51 64.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.007 0.432 . . . . 25.0 110.534 177.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -61.86 -38.96 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.854 -0.528 . . . . 25.0 110.323 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -68.89 -35.94 77.46 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.635 -0.665 . . . . 25.0 110.326 178.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.88 -26.67 65.24 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 111.462 0.171 . . . . 25.0 111.462 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.97 -43.78 23.8 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.974 0.416 . . . . 25.0 110.533 175.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.95 -50.4 42.24 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 48.68 24.95 0.87 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -175.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -77.93 20.59 0.35 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.475 1.287 . . . . 25.0 114.475 -175.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 52.08 42.99 30.83 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 122.431 1.11 . . . . 25.0 111.408 176.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 C--O 1.207 -1.132 0 CA-C-O 124.372 2.034 . . . . 25.0 111.514 -178.864 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.277 0 CA-C-O 124.327 2.071 . . . . 25.0 115.139 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.26 173.38 12.62 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.182 -1.509 . . . . 25.0 107.988 -177.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtm -121.54 157.54 30.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 176.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.8 t -102.76 114.67 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 O-C-N 123.117 0.261 . . . . 25.0 110.691 -174.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -132.65 39.22 3.36 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.28 168.47 24.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 63.84 16.01 9.5 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.211 0.944 . . . . 25.0 111.636 -178.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.5 m -82.4 37.47 0.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.774 -0.579 . . . . 25.0 111.389 176.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.96 154.31 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 -176.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -126.82 126.5 43.47 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.553 -1.277 . . . . 25.0 107.553 177.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.07 76.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.673 0.749 . . . . 25.0 109.964 179.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.71 68.37 4.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.083 0.468 . . . . 25.0 111.255 -179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 12.9 ptp -76.91 3.14 12.76 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.662 0.986 . . . . 25.0 113.662 -174.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.74 -0.83 83.05 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 116.142 -0.481 . . . . 25.0 114.136 178.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -94.07 54.76 1.96 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.058 0.932 . . . . 25.0 113.082 -177.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.2 p -103.12 8.34 38.67 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.86 138.7 18.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 114.95 -1.023 . . . . 25.0 108.638 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.53 97.8 6.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 103.381 -2.822 . . . . 25.0 103.381 174.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -45.89 -51.69 29.42 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 114.871 1.434 . . . . 25.0 114.871 -172.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -72.47 -67.9 0.02 OUTLIER 'Trans proline' 0 CA--C 1.543 0.967 1 C-N-CA 113.287 -4.009 . . . . 25.0 113.979 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -174.84 145.43 0.92 Allowed Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.657 -1.979 . . . . 25.0 105.657 176.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -79.24 158.94 26.46 Favored 'Trans proline' 0 C--O 1.242 0.685 0 C-N-CA 116.257 -2.029 . . . . 25.0 111.491 172.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 31.2 mt 58.07 -170.07 0.11 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.723 0.809 . . . . 25.0 112.366 176.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.268 83.1 tttt 75.64 -96.07 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.221 0 CA-C-O 116.609 -1.662 . . . . 25.0 110.765 -174.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.77 134.17 23.37 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 108.271 -7.353 . . . . 25.0 112.525 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.0 t -157.48 159.77 37.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 178.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -155.91 74.32 0.86 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 122.618 0.367 . . . . 25.0 110.441 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -115.89 104.26 52.76 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.629 -175.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.09 140.74 28.59 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 116.919 -1.587 . . . . 25.0 112.335 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 11.1 t -144.9 -4.29 0.75 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.507 1.299 . . . . 25.0 114.507 -176.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 4.0 t -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.769 -0.582 . . . . 25.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.36 169.99 36.28 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 109.268 -1.533 . . . . 25.0 109.268 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.0 158.66 38.2 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 CA-C-N 119.249 1.524 . . . . 25.0 114.072 -176.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -73.83 154.47 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 118.41 -0.593 . . . . 25.0 112.21 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -118.69 52.59 0.7 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 114.824 0.689 . . . . 25.0 114.824 -177.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -137.02 96.96 3.39 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.679 0.739 . . . . 25.0 111.199 178.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.05 134.22 20.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.5 -163.53 32.58 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 110.676 -0.969 . . . . 25.0 110.676 -176.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.5 4.42 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 116.389 1.316 . . . . 25.0 116.389 177.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 48.3 t -122.79 79.22 1.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.245 1.022 . . . . 25.0 111.298 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 83.16 1.94 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 177.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 64.7 mt -132.79 135.66 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 122.555 0.342 . . . . 25.0 111.092 -173.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 46.3 m -153.61 142.25 20.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 95.8 t -99.08 130.23 48.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 105.522 -2.029 . . . . 25.0 105.522 179.029 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -79.67 117.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 p -110.74 74.93 0.9 Allowed 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 122.45 1.119 . . . . 25.0 110.049 -177.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -140.96 48.31 1.7 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 113.589 -1.641 . . . . 25.0 108.936 -176.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.06 -14.89 71.05 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.325 -0.852 . . . . 25.0 114.732 -176.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.02 136.62 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.472 -1.677 . . . . 25.0 106.472 177.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 132.16 47.68 0.11 Allowed Glycine 0 C--O 1.225 -0.414 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 -174.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.96 157.89 35.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.22 -0.49 . . . . 25.0 111.554 -177.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 13.3 tp 56.74 -119.4 1.28 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.845 0.858 . . . . 25.0 113.309 177.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 49.2 m -92.44 68.3 4.88 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.347 -0.846 . . . . 25.0 112.796 -172.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.68 -3.82 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 122.59 1.186 . . . . 25.0 109.248 173.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.12 171.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 124.345 1.058 . . . . 25.0 110.159 179.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -77.89 108.67 7.84 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 166.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -77.62 -19.34 12.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 115.118 -2.788 . . . . 25.0 115.131 -171.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.56 -45.11 63.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.875 0.845 . . . . 25.0 111.273 -176.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.56 -34.37 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.74 70.93 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.696 -0.683 . . . . 25.0 111.55 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -64.31 -44.17 92.42 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.257 0.551 . . . . 25.0 110.485 176.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -64.15 -42.73 96.65 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 176.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.64 -38.2 77.57 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.53 -33.94 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.331 -0.856 . . . . 25.0 110.381 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.65 -47.93 79.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.236 0.335 . . . . 25.0 111.051 177.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -35.92 77.16 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.263 0.468 . . . . 25.0 112.263 177.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 64.3 t -70.05 -43.37 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.672 -0.643 . . . . 25.0 109.556 176.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.76 -38.87 87.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.133 0.79 . . . . 25.0 113.133 -176.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -71.58 -36.04 70.76 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 118.894 -1.122 . . . . 25.0 110.597 177.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -72.62 -38.85 67.66 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 121.657 -0.652 . . . . 25.0 112.02 -178.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 5.7 p -67.98 -27.91 39.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.211 178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -68.0 -43.35 79.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 174.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.55 -27.2 60.41 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 114.649 1.351 . . . . 25.0 114.649 -177.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.56 -14.46 62.51 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.609 -0.682 . . . . 25.0 109.792 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -79.68 -6.4 57.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 25.0 111.342 174.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 94.49 -173.02 32.14 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 111.716 -0.554 . . . . 25.0 111.716 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -171.96 -45.75 0.04 OUTLIER Glycine 0 C--O 1.221 -0.716 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.4 12.23 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.635 0 CA-C-O 121.186 0.517 . . . . 25.0 110.28 174.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -127.75 115.38 18.59 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 -178.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.215 -0.75 0 CA-C-O 124.325 2.012 . . . . 25.0 111.719 -178.703 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.202 1.477 . . . . 25.0 114.198 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -69.07 -29.14 67.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.973 -1.08 . . . . 25.0 109.215 177.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -58.98 -33.69 70.96 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.775 -0.648 . . . . 25.0 110.947 176.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -80.64 -38.14 29.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.149 -0.345 . . . . 25.0 111.91 177.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.58 -43.07 93.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.025 0.38 . . . . 25.0 112.025 -175.216 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -62.04 -33.21 73.95 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.937 178.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.37 -50.71 54.53 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.1 mtp -60.97 -37.43 82.4 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.229 -175.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.79 99.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.84 0.353 . . . . 25.0 110.335 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -38.45 78.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.712 0.768 . . . . 25.0 110.508 -178.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.51 -38.0 83.66 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.303 177.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.94 -37.77 88.73 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -61.04 -48.33 82.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.06 -12.61 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -175.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.1 p -123.2 13.16 9.62 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.671 -0.643 . . . . 25.0 112.254 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 25.0 111.2 -177.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 p -68.97 -30.49 46.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-N 116.311 -0.404 . . . . 25.0 110.596 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.76 -44.24 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.506 -0.746 . . . . 25.0 111.029 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -71.5 -37.55 71.25 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.1 -42.92 96.72 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -65.19 -42.79 93.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.45 -0.204 . . . . 25.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.36 -41.47 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.821 179.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.5 -32.85 74.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.157 -0.34 . . . . 25.0 110.529 178.45 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.42 74.05 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 110.498 -0.186 . . . . 25.0 110.498 177.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -66.55 -42.25 87.42 Favored 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 121.865 -0.522 . . . . 25.0 110.341 177.339 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.18 -38.18 31.79 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.911 -0.715 . . . . 25.0 112.687 -173.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HE2' HD22 ' A' ' 37' ' ' LEU . 45.5 m-85 -134.77 67.66 70.9 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 121.005 0.431 . . . . 25.0 110.035 -177.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.16 138.71 62.96 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 116.894 -1.604 . . . . 25.0 112.133 -176.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.16 -23.89 3.11 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 115.755 1.062 . . . . 25.0 115.755 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -88.86 83.48 6.65 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 118.215 1.008 . . . . 25.0 110.681 -174.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -51.43 -45.18 62.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.153 0.427 . . . . 25.0 112.153 -178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.63 -50.98 71.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 25.0 111.237 -177.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.92 -36.19 83.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.293 -0.412 . . . . 25.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -60.56 -45.87 92.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 177.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -64.11 -39.66 94.53 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.548 0.613 . . . . 25.0 111.815 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.05 -38.79 83.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 121.985 -0.447 . . . . 25.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 52.1 tp -67.14 -44.41 79.91 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.593 -0.843 . . . . 25.0 110.303 173.529 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.37 -41.63 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.854 -0.529 . . . . 25.0 110.662 -177.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -62.86 -35.8 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.098 -0.641 . . . . 25.0 112.185 -177.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -68.59 -41.14 80.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 25.0 110.495 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.39 -39.22 92.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.821 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -66.02 -43.07 88.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.313 -0.242 . . . . 25.0 110.633 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.29 -50.1 67.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.774 0.321 . . . . 25.0 111.09 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -60.09 -38.73 83.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.4 -0.363 . . . . 25.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.46 -44.85 96.38 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 177.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.36 -47.17 83.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.15 -47.47 84.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.814 -0.354 . . . . 25.0 110.566 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -64.12 -42.5 96.82 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 122.44 -0.162 . . . . 25.0 110.713 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -61.8 -48.21 81.64 Favored 'General case' 0 C--O 1.211 -0.926 0 C-N-CA 121.087 -0.245 . . . . 25.0 110.812 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -39.87 95.88 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.598 -0.441 . . . . 25.0 110.897 -177.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -65.88 -45.9 80.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.289 0.566 . . . . 25.0 110.637 178.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.6 -41.58 79.39 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.172 -0.467 . . . . 25.0 110.24 -177.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.54 -39.93 85.56 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 122.626 0.37 . . . . 25.0 110.192 178.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.89 -42.29 93.46 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -68.72 -30.96 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 179.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.58 -47.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 118.337 0.517 . . . . 25.0 111.684 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -67.54 -30.74 70.47 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.965 -0.754 . . . . 25.0 108.965 179.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.36 -43.35 86.26 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.844 -0.616 . . . . 25.0 110.01 176.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.08 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.26 -41.72 96.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.76 0.315 . . . . 25.0 110.277 176.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -40.14 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.194 0.442 . . . . 25.0 112.194 178.035 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -65.11 -36.87 85.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 178.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.68 -30.24 66.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.096 0.247 . . . . 25.0 110.936 178.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -32.98 63.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 25.0 110.122 177.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -82.16 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 -177.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 47.81 26.37 0.9 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.057 0.943 . . . . 25.0 113.259 -173.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -97.96 37.81 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 -172.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 53.33 47.88 23.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.882 1.325 . . . . 25.0 110.948 -177.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 C--O 1.208 -1.104 0 CA-C-O 124.152 1.93 . . . . 25.0 111.505 178.349 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.986 0 CA-C-O 124.458 2.144 . . . . 25.0 113.757 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.14 152.3 29.32 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 113.604 -1.298 . . . . 25.0 108.367 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.5 ptm -133.58 138.26 45.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 178.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 66.2 t -134.46 129.95 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -175.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 47.73 33.54 3.2 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.184 1.55 . . . . 25.0 115.184 179.132 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.92 64.86 3.23 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.909 -0.495 . . . . 25.0 110.934 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -148.99 144.25 26.64 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 39.2 m -152.71 94.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 178.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.89 16.12 4.25 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.363 0.601 . . . . 25.0 111.957 -174.069 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -119.62 78.54 1.33 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.374 -178.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.82 117.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 106.995 -1.483 . . . . 25.0 106.995 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.71 29.26 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.08 -0.509 . . . . 25.0 111.481 -176.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.41 143.08 38.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.16 7.12 72.63 Favored Glycine 0 N--CA 1.462 0.382 0 CA-C-O 122.073 0.818 . . . . 25.0 112.02 -177.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.73 74.01 1.12 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.219 1.009 . . . . 25.0 109.431 -175.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 45.7 p -93.6 8.3 41.35 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.096 1.147 . . . . 25.0 114.096 -175.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 87.9 t -71.51 129.21 35.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 12.7 p -141.64 149.12 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 -177.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.54 23.69 0.03 OUTLIER Pre-proline 0 CA--C 1.563 1.473 0 N-CA-C 119.937 3.31 . . . . 25.0 119.937 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.92 -5.5 13.04 Favored 'Trans proline' 0 C--N 1.362 1.243 1 C-N-CA 112.701 -4.4 . . . . 25.0 112.262 173.415 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.89 159.4 68.76 Favored Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 115.828 -0.624 . . . . 25.0 110.119 -177.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -68.55 175.09 7.47 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 116.772 -1.685 . . . . 25.0 110.977 170.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.5 mt -55.39 135.87 49.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.406 0.622 . . . . 25.0 110.343 -178.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -56.09 -31.36 9.66 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 120.131 3.382 . . . . 25.0 120.131 -174.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.42 124.61 10.51 Favored 'Trans proline' 0 C--N 1.359 1.093 1 C-N-CA 111.985 -4.877 . . . . 25.0 112.683 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.7 t -150.04 166.87 28.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.519 -1.66 . . . . 25.0 106.519 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -87.2 107.91 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -122.91 79.82 50.21 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-O 121.297 0.57 . . . . 25.0 110.592 -179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.55 149.59 27.24 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 117.39 -1.273 . . . . 25.0 112.202 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.5 t -152.51 172.41 16.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.613 -0.884 . . . . 25.0 108.613 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 52.6 m -145.27 147.11 32.02 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 179.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.98 -176.22 47.55 Favored Glycine 0 CA--C 1.509 -0.31 0 N-CA-C 109.782 -1.327 . . . . 25.0 109.782 -178.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -72.68 162.96 39.84 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 CA-C-N 118.99 1.395 . . . . 25.0 111.971 178.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.66 164.87 33.88 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 117.835 -0.977 . . . . 25.0 113.28 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.54 157.97 53.4 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.692 -0.686 . . . . 25.0 113.19 179.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -82.02 173.59 12.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 25.0 110.592 -179.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -142.51 -177.45 5.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 -178.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -151.14 175.91 29.87 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.01 -0.614 . . . . 25.0 111.711 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -84.82 -169.57 46.02 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 121.523 -0.37 . . . . 25.0 113.191 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 14.3 m -105.86 178.71 4.48 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 50.2 tp -124.19 81.92 1.98 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 112.727 -2.033 . . . . 25.0 106.994 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.3 mt -83.57 149.15 26.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.788 -1.096 . . . . 25.0 110.648 -176.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.6 p -151.54 159.87 43.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 104.733 -2.321 . . . . 25.0 104.733 176.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.59 135.87 55.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -177.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 21.0 mt -69.41 128.89 33.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 178.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.2 t -109.48 -2.64 17.54 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.646 0.736 . . . . 25.0 111.278 -178.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 42.98 51.12 5.35 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.825 1.417 . . . . 25.0 114.825 175.107 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.44 20.49 13.91 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 115.139 0.815 . . . . 25.0 115.139 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.1 120.68 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 -179.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -128.79 -70.84 0.14 Allowed Glycine 0 N--CA 1.46 0.288 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.57 -46.56 0.1 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 119.963 3.32 . . . . 25.0 119.963 173.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.48 124.11 18.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -169.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.8 m -89.22 75.59 7.78 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.147 -1.388 . . . . 25.0 108.378 176.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.8 p -82.5 18.33 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-O 122.004 0.907 . . . . 25.0 111.949 -176.046 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.8 pt -128.89 164.41 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 121.617 -0.677 . . . . 25.0 111.679 -174.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.21 108.37 12.66 Favored Pre-proline 0 C--O 1.248 1.004 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 167.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.35 -25.4 18.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 115.214 -2.724 . . . . 25.0 114.692 -171.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -69.1 -43.22 74.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.715 0.769 . . . . 25.0 111.485 -177.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.59 -36.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.06 -1.459 . . . . 25.0 107.06 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.75 82.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.672 -0.695 . . . . 25.0 111.198 -179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.38 -47.73 80.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 25.0 110.281 177.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -62.87 -37.96 88.97 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -178.462 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 16.6 p -70.27 -32.96 71.0 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.487 -0.758 . . . . 25.0 111.149 -177.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -59.73 -44.0 93.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.92 -39.33 87.33 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.18 -0.325 . . . . 25.0 111.513 177.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 28.7 t -61.29 -44.8 99.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 122.09 -0.381 . . . . 25.0 110.729 -178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.18 -41.92 97.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.223 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.0 -41.01 97.62 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.751 0.31 . . . . 25.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -62.18 -44.1 97.35 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 178.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.81 -36.83 78.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 121.102 -0.239 . . . . 25.0 111.339 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -63.23 -38.82 92.67 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.431 -0.793 . . . . 25.0 110.231 175.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.25 -20.5 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.318 1.229 . . . . 25.0 114.318 -178.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.04 -17.35 64.63 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 172.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -96.52 7.44 46.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.756 -0.657 . . . . 25.0 111.206 -179.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.64 -86.98 0.63 Allowed Glycine 0 C--O 1.219 -0.82 0 N-CA-C 114.664 0.626 . . . . 25.0 114.664 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -149.13 36.46 1.03 Allowed Glycine 0 C--O 1.219 -0.787 0 CA-C-O 119.994 -0.337 . . . . 25.0 113.078 -175.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 67.81 -9.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 116.136 1.902 . . . . 25.0 116.136 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -80.02 62.08 4.1 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.352 1.072 . . . . 25.0 110.063 175.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 123.405 1.574 . . . . 25.0 114.359 -176.111 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 125.781 2.705 . . . . 25.0 114.456 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -68.78 -19.66 64.32 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.42 -2.05 . . . . 25.0 110.558 -178.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.54 -27.95 65.03 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.768 0.427 . . . . 25.0 110.914 177.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -51.32 -33.45 29.17 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 119.78 -0.152 . . . . 25.0 111.191 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -60.24 -38.12 82.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -70.28 -31.31 68.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.736 0.779 . . . . 25.0 110.072 177.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mm -68.1 -46.65 81.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 N-CA-C 107.866 -1.161 . . . . 25.0 107.866 -179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.8 mmm -58.77 -42.01 87.98 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.23 94.43 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.562 -0.455 . . . . 25.0 110.858 -179.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.63 -42.12 64.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.781 0.324 . . . . 25.0 110.933 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.35 -42.22 96.35 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.009 0.433 . . . . 25.0 110.836 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.18 -34.64 78.48 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 -178.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -65.96 -49.5 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -20.14 62.38 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.7 p -114.64 15.14 17.7 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.105 -0.372 . . . . 25.0 110.599 -178.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.73 27.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.241 0.543 . . . . 25.0 110.994 -176.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.84 -34.09 54.82 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -63.31 -46.14 88.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.458 -0.776 . . . . 25.0 111.142 -177.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -71.21 -35.61 71.57 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.378 -0.373 . . . . 25.0 111.485 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.78 -43.1 94.34 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.084 -0.339 . . . . 25.0 110.084 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.18 -38.48 88.15 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.642 0.734 . . . . 25.0 111.29 179.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.81 -33.9 76.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.663 -0.648 . . . . 25.0 110.467 177.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.59 -32.76 68.39 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 178.331 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -68.39 -37.11 80.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.694 0.759 . . . . 25.0 111.117 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -89.88 -33.4 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.396 -0.82 . . . . 25.0 113.158 -177.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -134.34 65.62 68.66 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 123.258 0.349 . . . . 25.0 110.715 -178.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.78 140.56 80.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 116.13 -2.113 . . . . 25.0 112.625 -175.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.19 -22.03 2.11 Favored Glycine 0 C--O 1.231 -0.089 0 N-CA-C 116.309 1.284 . . . . 25.0 116.309 -179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.82 84.54 4.22 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 119.344 1.572 . . . . 25.0 110.284 -173.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.73 -41.14 56.08 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 114.514 1.301 . . . . 25.0 114.514 -177.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -64.87 -49.66 69.64 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.585 -0.697 . . . . 25.0 110.116 -177.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -60.92 -34.74 75.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.297 0.57 . . . . 25.0 111.341 178.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.64 -47.18 84.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.653 -0.703 . . . . 25.0 109.119 177.585 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.54 -40.9 98.27 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.793 0.33 . . . . 25.0 111.682 179.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.89 -42.85 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 109.979 -0.378 . . . . 25.0 109.979 -179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.4 tp -67.32 -42.78 83.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.761 -0.587 . . . . 25.0 110.093 177.65 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.72 -39.38 79.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 -178.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -58.54 -42.98 89.08 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.384 179.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.57 -42.36 82.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.019 0.438 . . . . 25.0 110.28 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.89 -40.68 96.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.93 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -66.18 -41.25 90.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.906 0.321 . . . . 25.0 111.307 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.19 -51.23 62.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.339 0.59 . . . . 25.0 110.669 178.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.43 -34.85 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 25.0 110.838 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.28 -42.7 99.57 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 177.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.52 -47.44 81.65 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.28 -0.262 . . . . 25.0 111.169 177.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -56.45 -52.38 64.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.843 0.354 . . . . 25.0 110.706 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.94 -35.84 79.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -64.06 -48.22 77.09 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 121.677 -0.639 . . . . 25.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -40.06 92.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.244 -0.583 . . . . 25.0 110.223 -178.234 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.8 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 25.0 111.33 177.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -74.25 -42.66 59.29 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.621 -0.675 . . . . 25.0 110.863 -177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.01 -38.17 85.1 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -58.21 -42.88 87.17 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -179.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.56 -33.53 75.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.273 0.471 . . . . 25.0 112.273 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.35 -49.85 56.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.842 -0.429 . . . . 25.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -69.07 -32.08 71.28 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.008 -0.677 . . . . 25.0 109.532 -177.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.15 -42.64 93.6 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 109.627 -0.508 . . . . 25.0 109.627 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.07 78.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.202 177.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.46 -36.9 79.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 25.0 111.291 177.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.22 -37.25 86.7 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.119 -0.363 . . . . 25.0 110.815 177.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -67.42 -34.37 77.09 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 122.109 -0.369 . . . . 25.0 110.398 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.68 -29.42 68.69 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 122.169 -0.332 . . . . 25.0 111.069 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.92 37.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.927 0.394 . . . . 25.0 111.209 176.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.0 -53.23 8.69 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.945 0.721 . . . . 25.0 112.945 -176.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 48.67 33.82 4.56 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.147 1.166 . . . . 25.0 114.147 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -146.13 36.83 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.687 -0.633 . . . . 25.0 110.812 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -136.39 125.29 24.17 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 C--O 1.197 -1.676 0 CA-C-O 124.44 2.067 . . . . 25.0 112.839 -177.089 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.666 0 CA-C-O 122.927 1.293 . . . . 25.0 115.405 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.03 133.96 33.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.772 -0.84 . . . . 25.0 109.709 -178.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 27.1 ttt -151.97 158.82 43.63 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 178.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.0 165.12 27.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.41 157.04 36.64 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.588 0.709 . . . . 25.0 112.543 -178.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.15 130.76 9.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 143.94 37.36 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 178.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 92.35 4.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.175 0.512 . . . . 25.0 111.9 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tt -154.48 111.32 3.33 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -143.82 129.26 18.99 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 174.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.75 118.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.23 97.71 0.81 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 -177.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.9 mpp? 57.19 -160.4 0.23 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.142 0.901 . . . . 25.0 109.146 -175.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.56 -179.17 29.27 Favored Glycine 0 C--O 1.221 -0.673 0 N-CA-C 109.08 -1.608 . . . . 25.0 109.08 -179.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -82.64 -18.23 41.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.361 0.601 . . . . 25.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p 47.18 61.83 2.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.476 -0.784 . . . . 25.0 112.643 179.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.64 134.7 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.41 179.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.43 114.02 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.719 0.771 . . . . 25.0 112.322 -174.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 94.15 -29.77 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.213 0 N-CA-C 121.026 3.713 . . . . 25.0 121.026 167.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.99 131.81 18.77 Favored 'Trans proline' 0 C--N 1.353 0.764 1 C-N-CA 111.505 -5.197 . . . . 25.0 113.66 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.18 95.01 5.18 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 111.865 0.321 . . . . 25.0 111.865 -178.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -67.84 148.85 77.66 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 116.02 -2.187 . . . . 25.0 110.363 174.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.25 165.34 32.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.613 -0.267 . . . . 25.0 110.417 -177.011 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 103.31 -60.2 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.397 0 C-N-CA 128.894 2.877 . . . . 25.0 113.572 -178.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.59 162.53 32.92 Favored 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 112.076 -4.816 . . . . 25.0 110.34 176.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 8.3 t -137.07 -9.56 1.76 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.056 0.931 . . . . 25.0 111.832 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.2 t -159.34 123.32 3.84 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.067 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -137.06 89.05 17.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 103.766 -2.679 . . . . 25.0 103.766 173.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -78.46 163.93 26.67 Favored 'Trans proline' 0 C--N 1.347 0.468 0 N-CA-C 115.896 1.46 . . . . 25.0 115.896 -164.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.3 p -62.24 117.81 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.548 -1.206 . . . . 25.0 108.052 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 59.1 p -157.18 168.3 27.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 -176.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.92 -179.46 16.79 Favored Glycine 0 C--O 1.236 0.233 0 CA-C-O 119.682 -0.51 . . . . 25.0 112.443 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.03 160.67 42.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 CA-C-N 118.746 1.273 . . . . 25.0 111.876 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.17 154.15 70.54 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 117.259 -1.361 . . . . 25.0 113.824 178.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -94.95 -162.9 34.83 Favored Glycine 0 C--O 1.22 -0.733 0 N-CA-C 110.775 -0.93 . . . . 25.0 110.775 176.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 57.41 35.86 26.44 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -64.94 126.53 28.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 25.0 109.863 178.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 157.8 -174.69 35.16 Favored Glycine 0 CA--C 1.508 -0.394 0 N-CA-C 109.686 -1.366 . . . . 25.0 109.686 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.82 38.36 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 108.931 -1.668 . . . . 25.0 108.931 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 17.5 m 52.71 31.81 10.98 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.496 1.665 . . . . 25.0 115.496 177.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.35 49.29 1.11 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.61 0.719 . . . . 25.0 109.503 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 3.6 pp -150.59 161.52 42.41 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.786 -0.572 . . . . 25.0 110.242 -176.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 71.7 m -138.59 132.48 31.11 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 175.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.64 126.82 40.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.127 -1.064 . . . . 25.0 108.127 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.51 130.33 34.7 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.359 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.4 t -116.9 0.89 12.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.145 0.974 . . . . 25.0 109.472 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 47.9 35.03 4.44 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 113.827 -1.533 . . . . 25.0 113.347 175.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.69 17.39 25.98 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -175.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.11 146.88 11.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.11 -46.49 0.39 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 178.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -126.09 160.96 28.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.481 0.658 . . . . 25.0 112.052 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 47.9 tp -87.48 133.94 33.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.738 -178.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 15.5 m 50.88 56.16 8.43 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.516 1.673 . . . . 25.0 115.516 174.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 14.6 m -76.77 44.91 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 CA-C-O 122.234 1.016 . . . . 25.0 111.93 175.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 20.0 pt -146.71 177.92 1.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -172.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -81.27 104.74 3.17 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 164.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -74.9 -23.62 13.85 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 113.993 -3.538 . . . . 25.0 114.459 -172.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.77 -36.92 59.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.681 0.277 . . . . 25.0 111.305 -178.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.57 -37.62 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.375 -1.343 . . . . 25.0 107.375 175.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.09 74.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.909 -0.587 . . . . 25.0 111.029 -179.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -63.97 -47.8 79.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.787 0.327 . . . . 25.0 110.202 176.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -59.29 -41.92 90.09 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.792 0.806 . . . . 25.0 109.688 179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.57 99.41 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.767 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.58 -33.31 70.95 Favored 'General case' 0 C--O 1.221 -0.422 0 O-C-N 121.392 -0.817 . . . . 25.0 111.022 -176.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -65.11 -43.5 91.83 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 -179.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.58 -41.23 98.38 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.762 0.315 . . . . 25.0 111.002 178.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.54 -47.85 91.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 122.149 -0.344 . . . . 25.0 110.339 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.75 -44.25 94.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.839 -0.344 . . . . 25.0 110.216 -178.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.59 -41.35 98.36 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.898 -0.501 . . . . 25.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -61.51 -44.0 97.86 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.005 -1.059 . . . . 25.0 111.46 178.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.77 -36.84 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.446 -0.784 . . . . 25.0 110.457 176.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.5 -18.58 59.78 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 -175.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.34 -19.98 65.1 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 171.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -98.39 14.21 28.88 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 123.418 0.687 . . . . 25.0 111.018 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 82.98 4.28 90.08 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.078 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 86.79 -14.43 56.31 Favored Glycine 0 C--O 1.226 -0.385 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.989 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 16.5 m -82.25 39.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 122.427 1.108 . . . . 25.0 111.159 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -98.08 80.13 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 178.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 123.755 1.74 . . . . 25.0 113.46 -176.446 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 125.752 2.691 . . . . 25.0 114.24 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -107.29 119.47 39.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 113.907 -1.497 . . . . 25.0 112.898 -175.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.76 -34.07 77.02 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 122.171 -0.331 . . . . 25.0 111.049 177.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.24 -38.27 73.55 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.183 -0.948 . . . . 25.0 112.155 -178.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.24 -39.34 94.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 -176.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.74 -31.81 71.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.138 -1.025 . . . . 25.0 110.978 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -52.04 48.52 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 mtp -58.97 -37.81 77.66 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.958 -177.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.25 95.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.298 0.57 . . . . 25.0 110.155 177.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.1 -41.05 71.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.48 0.657 . . . . 25.0 109.778 -177.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.45 -40.04 94.96 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.44 -31.28 72.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.827 -0.624 . . . . 25.0 110.128 -178.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -67.03 -48.59 67.89 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.429 0.456 . . . . 25.0 112.156 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -16.83 58.74 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -175.366 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.76 7.87 18.68 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.11 -57.67 9.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 25.0 111.077 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.29 -29.88 41.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.974 -0.557 . . . . 25.0 110.49 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.82 -48.54 65.97 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.705 -0.622 . . . . 25.0 111.599 -179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.33 -34.97 73.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.019 0.437 . . . . 25.0 109.87 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.98 -45.06 87.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -65.47 -40.19 92.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.154 -0.313 . . . . 25.0 110.154 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -68.32 -41.93 80.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.441 -0.904 . . . . 25.0 111.115 179.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.621 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.65 -36.18 82.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.989 -0.444 . . . . 25.0 110.019 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.81 -29.92 67.32 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.525 0.148 . . . . 25.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -70.98 -36.56 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 25.0 110.423 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -82.18 -40.91 21.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.824 0.675 . . . . 25.0 112.824 -178.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -131.42 68.91 81.73 Favored Pre-proline 0 C--O 1.236 0.374 0 C-N-CA 122.439 0.296 . . . . 25.0 110.289 -177.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -63.41 139.35 70.55 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 116.737 -1.709 . . . . 25.0 111.953 -177.711 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.28 -24.1 2.16 Favored Glycine 0 C--O 1.217 -0.926 0 N-CA-C 115.838 1.095 . . . . 25.0 115.838 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -92.62 81.2 4.78 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 119.324 1.562 . . . . 25.0 109.552 -173.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -55.55 -35.81 66.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.993 -176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.14 -47.88 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 25.0 110.029 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -62.91 -34.39 77.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.312 0.577 . . . . 25.0 111.734 177.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -63.61 -45.63 89.43 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -62.53 -41.45 98.88 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 111.705 0.261 . . . . 25.0 111.705 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.12 -44.11 98.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 23' ' ' ALA . 46.1 tp -65.35 -40.03 93.09 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.419 -0.801 . . . . 25.0 110.51 178.244 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.74 -39.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.683 -0.488 . . . . 25.0 109.683 179.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.25 -42.55 86.67 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.978 -0.451 . . . . 25.0 111.465 177.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.75 -42.08 97.91 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.443 0.64 . . . . 25.0 110.047 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 HG11 ' B' ' 171' ' ' VAL . 0.0 OUTLIER -63.63 -42.68 98.15 Favored 'General case' 0 C--O 1.21 -1.016 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.058 -179.619 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.5 -38.47 77.63 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -177.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -63.89 -52.42 60.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.589 0.709 . . . . 25.0 109.55 176.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.48 -36.69 84.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.969 -178.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -63.1 -46.47 87.21 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 108.631 -0.877 . . . . 25.0 108.631 178.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -58.41 -43.98 88.84 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.559 0.618 . . . . 25.0 112.312 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.65 -51.14 69.69 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.543 -0.169 . . . . 25.0 110.543 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -66.09 -38.97 89.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -176.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.4 -50.86 69.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 119.114 -0.47 . . . . 25.0 110.547 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -36.92 85.81 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.647 -0.821 . . . . 25.0 110.92 -176.207 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -68.96 -45.23 71.23 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.931 0.395 . . . . 25.0 110.43 -179.202 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -69.07 -39.34 79.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.75 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -39.31 94.06 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.405 -0.591 . . . . 25.0 109.405 176.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -58.52 -43.43 89.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.214 -1.032 . . . . 25.0 108.214 178.168 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.01 -28.16 68.66 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 179.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.12 -48.23 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 120.303 -0.559 . . . . 25.0 110.469 178.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.87 -30.22 65.2 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.361 -0.936 . . . . 25.0 110.892 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.88 -42.5 90.24 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 176.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.29 -44.68 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.032 0.444 . . . . 25.0 110.094 178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -68.68 -37.33 79.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.688 -0.687 . . . . 25.0 110.63 178.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -62.9 -33.99 76.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.739 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -65.91 -36.23 82.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.523 -0.736 . . . . 25.0 110.281 177.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.88 66.57 Favored 'General case' 0 C--O 1.209 -1.066 0 CA-C-O 121.451 0.643 . . . . 25.0 110.63 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.12 -23.04 57.82 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.492 176.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -97.35 -57.39 2.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -176.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 42.77 33.88 0.53 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 -175.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -124.72 81.13 1.92 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.921 -0.582 . . . . 25.0 111.442 -174.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 52.45 48.35 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.185 0.993 . . . . 25.0 111.79 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 . . . . . 0 C--O 1.213 -0.859 0 CA-C-O 125.126 2.394 . . . . 25.0 112.01 178.509 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.452 0 CA-C-O 125.554 2.752 . . . . 25.0 112.884 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.41 72.49 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.021 -2.089 . . . . 25.0 111.137 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 17.3 mmt 44.76 46.05 8.49 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 124.24 0.963 . . . . 25.0 112.074 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 p -121.57 147.13 25.69 Favored 'Isoleucine or valine' 0 C--O 1.25 1.118 0 CA-C-O 121.766 0.793 . . . . 25.0 112.68 -170.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.74 159.59 15.34 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 48.08 53.13 12.12 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.146 0.974 . . . . 25.0 112.299 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -59.43 115.9 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.285 1.217 . . . . 25.0 114.285 -175.471 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 p -90.65 100.43 13.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.432 -0.804 . . . . 25.0 112.415 175.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.66 102.15 13.55 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 174.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.16 111.04 5.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.122 -0.695 . . . . 25.0 109.122 -178.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.21 29.27 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 CA-C-O 121.181 0.515 . . . . 25.0 111.521 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 50.28 60.19 4.02 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.785 -1.098 . . . . 25.0 112.113 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 56.7 mtt -75.15 113.31 12.34 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.862 -178.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.19 -169.53 54.52 Favored Glycine 0 C--O 1.224 -0.523 0 N-CA-C 109.393 -1.483 . . . . 25.0 109.393 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -83.66 -24.97 31.12 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -177.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.7 p 46.36 34.58 2.33 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.8 0.809 . . . . 25.0 113.075 -176.285 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 10.3 p -64.11 140.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.078 -0.965 . . . . 25.0 112.49 -172.039 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.6 t -119.36 108.38 23.62 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 177.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.64 -35.82 25.86 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -174.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -76.06 77.49 3.46 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 115.127 -2.782 . . . . 25.0 113.179 169.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.69 149.58 98.22 Favored Pre-proline 0 C--O 1.24 0.598 0 CA-C-N 115.758 -0.656 . . . . 25.0 112.502 -175.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.43 171.37 16.98 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 CA-C-O 122.586 0.994 . . . . 25.0 112.97 176.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.42 148.23 50.95 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 172.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -47.48 -49.76 53.08 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 117.007 2.225 . . . . 25.0 117.007 -174.386 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.5 114.79 4.11 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 113.623 -3.785 . . . . 25.0 112.816 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 45.8 p -116.71 168.68 9.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 78.2 p -141.61 70.25 1.34 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.613 -0.722 . . . . 25.0 109.925 -179.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -115.07 77.27 4.97 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-N 115.823 -0.626 . . . . 25.0 111.99 -175.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -77.01 155.82 33.94 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 116.939 -1.574 . . . . 25.0 112.199 -178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -132.0 23.46 4.56 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.264 1.031 . . . . 25.0 108.262 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.9 p -73.72 149.08 42.07 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.565 -0.743 . . . . 25.0 110.154 178.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -121.19 176.1 16.23 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-O 119.616 -0.547 . . . . 25.0 112.548 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.37 151.5 42.96 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.102 1.201 . . . . 25.0 114.031 -179.369 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.35 151.96 38.62 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 118.609 -0.461 . . . . 25.0 112.64 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.03 65.11 0.55 Allowed Glycine 0 C--O 1.225 -0.412 0 CA-C-O 121.197 0.331 . . . . 25.0 112.619 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -131.59 112.37 12.55 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 122.191 -0.594 . . . . 25.0 111.87 -178.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -155.12 125.58 6.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.584 0.175 . . . . 25.0 110.779 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.0 -171.15 54.05 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.462 -0.875 . . . . 25.0 113.283 176.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -158.41 25.77 0.4 Allowed Glycine 0 C--O 1.22 -0.766 0 N-CA-C 114.325 0.49 . . . . 25.0 114.325 179.314 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.6 m 52.08 48.67 22.26 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.915 1.08 . . . . 25.0 113.915 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 79.7 mt -113.67 64.08 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.869 -0.605 . . . . 25.0 110.888 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.73 134.68 35.87 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.0 p -154.45 163.44 40.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 106.286 -1.746 . . . . 25.0 106.286 175.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 10.9 p -147.94 141.53 19.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 104.719 -2.326 . . . . 25.0 104.719 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 45.9 mm -106.42 130.83 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -178.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 1.4 t -156.08 119.76 4.38 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.297 -1.742 . . . . 25.0 106.297 177.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.99 33.93 1.01 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 122.418 1.104 . . . . 25.0 108.043 -177.488 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -129.59 35.49 2.55 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 115.232 -0.894 . . . . 25.0 112.694 -178.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.47 125.63 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 -177.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -89.5 -61.07 1.4 Allowed Glycine 0 C--O 1.219 -0.799 0 C-N-CA 120.45 -0.881 . . . . 25.0 113.967 -177.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -142.97 -53.12 0.38 Allowed 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 tp 63.82 111.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.606 2.076 . . . . 25.0 116.606 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 51.1 m -80.08 86.62 5.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.76 19.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.406 -0.816 . . . . 25.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.34 164.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 123.511 0.725 . . . . 25.0 109.312 -178.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.14 104.99 8.88 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 106.439 -1.689 . . . . 25.0 106.439 170.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.14 -13.32 25.92 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 117.749 -1.034 . . . . 25.0 113.554 -174.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.19 -46.84 85.17 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 122.253 1.025 . . . . 25.0 110.225 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -76.18 -30.7 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.866 -1.061 . . . . 25.0 108.807 -176.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.84 78.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.194 -0.457 . . . . 25.0 110.419 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.42 -39.78 95.42 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.081 -0.387 . . . . 25.0 110.845 177.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -65.62 -42.2 91.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.521 0.677 . . . . 25.0 110.048 176.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.49 87.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.121 -0.945 . . . . 25.0 112.232 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.21 -35.38 79.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.123 -0.631 . . . . 25.0 109.954 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -62.01 -42.58 99.31 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 121.014 -0.275 . . . . 25.0 111.488 -178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.71 -40.93 84.23 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.036 -0.415 . . . . 25.0 110.998 178.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.57 -41.02 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 121.285 -0.166 . . . . 25.0 111.263 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -38.72 90.28 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.537 -0.865 . . . . 25.0 110.246 177.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.54 -39.95 92.33 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.993 -1.067 . . . . 25.0 111.047 177.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -63.67 -42.95 98.0 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.69 0.256 . . . . 25.0 111.69 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 41' ' ' LEU . 6.9 p -69.95 -31.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 C-N-CA 119.516 -0.874 . . . . 25.0 110.175 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -66.03 -45.57 80.97 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 121.664 -0.648 . . . . 25.0 109.424 175.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.82 -34.06 69.01 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.746 1.758 . . . . 25.0 115.746 -177.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.71 -11.04 57.48 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.426 -0.796 . . . . 25.0 111.686 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -80.82 -11.08 59.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.876 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.3 177.96 15.23 Favored Glycine 0 N--CA 1.462 0.39 0 C-N-CA 121.019 -0.61 . . . . 25.0 113.487 179.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -95.42 -99.25 1.77 Allowed Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.311 -0.471 . . . . 25.0 112.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.71 22.72 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 121.686 0.755 . . . . 25.0 112.5 -179.581 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -81.21 77.6 8.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.006 0.908 . . . . 25.0 110.357 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.209 -1.068 0 CA-C-O 125.014 2.34 . . . . 25.0 111.986 -179.342 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 124.007 1.861 . . . . 25.0 115.411 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.21 141.73 50.63 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 119.104 -2.248 . . . . 25.0 106.993 176.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -56.36 -23.26 36.43 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 114.913 1.449 . . . . 25.0 114.913 -176.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.88 -33.4 57.83 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 25.0 112.535 178.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -62.3 -45.63 92.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.079 -0.249 . . . . 25.0 111.32 -172.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -62.31 -31.18 71.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.03 -179.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.26 -52.29 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 108.474 -0.935 . . . . 25.0 108.474 177.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 mtp -60.46 -38.61 84.76 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 120.422 -0.511 . . . . 25.0 110.658 -175.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.89 98.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.05 0.453 . . . . 25.0 110.922 176.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.85 81.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.675 0.75 . . . . 25.0 109.956 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.84 -38.73 86.96 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.194 177.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.96 -39.27 91.56 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 t -62.09 -51.28 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 -177.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.32 -12.07 60.71 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -175.184 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.9 p -123.73 14.07 9.34 Favored 'General case' 0 CA--C 1.509 -0.597 0 O-C-N 122.169 -0.332 . . . . 25.0 111.832 -179.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -59.82 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.173 0.511 . . . . 25.0 111.713 -177.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.45 -29.1 42.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-O 120.967 0.413 . . . . 25.0 110.578 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.04 -44.29 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.407 0.623 . . . . 25.0 111.362 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -73.61 -38.61 65.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.799 -0.637 . . . . 25.0 110.032 -179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.59 -42.4 98.28 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.43 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.76 -39.19 87.8 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.044 -0.41 . . . . 25.0 111.551 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.07 -40.49 78.46 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.768 -0.773 . . . . 25.0 110.593 178.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.7 -35.15 79.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.414 -0.515 . . . . 25.0 110.076 178.039 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.83 71.05 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 122.089 0.156 . . . . 25.0 110.955 176.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -68.19 -36.02 78.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.852 0.315 . . . . 25.0 111.852 176.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -89.8 -37.21 14.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.295 0.48 . . . . 25.0 112.295 -175.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -134.21 66.32 70.94 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 120.854 0.359 . . . . 25.0 111.48 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -63.97 142.43 81.54 Favored 'Trans proline' 0 CA--C 1.527 0.173 0 C-N-CA 116.089 -2.141 . . . . 25.0 112.129 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.14 -27.77 2.32 Favored Glycine 0 C--O 1.227 -0.341 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.96 88.22 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.376 1.088 . . . . 25.0 109.534 -173.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -56.48 -37.93 71.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.18 -47.78 78.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.114 0.483 . . . . 25.0 110.032 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -65.87 -35.48 80.76 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.862 -0.524 . . . . 25.0 111.245 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.26 -44.8 95.72 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.49 -0.484 . . . . 25.0 110.297 176.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.31 -41.09 98.91 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 118.209 0.459 . . . . 25.0 111.614 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.75 -43.12 90.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 110.195 -0.298 . . . . 25.0 110.195 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.2 tp -70.27 -39.04 75.19 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.057 -0.402 . . . . 25.0 110.353 178.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.66 -39.2 80.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -58.48 -42.49 87.62 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.708 -1.245 . . . . 25.0 112.145 177.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.08 -40.96 91.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.414 0.626 . . . . 25.0 109.763 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.32 99.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 25.0 110.821 178.553 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.85 -43.43 83.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.471 -0.143 . . . . 25.0 111.036 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.72 -52.71 62.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.812 0.339 . . . . 25.0 110.169 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.97 -38.69 89.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.599 -0.273 . . . . 25.0 111.557 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.88 -45.07 93.66 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 122.16 -0.338 . . . . 25.0 110.338 177.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -65.4 -44.6 86.95 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 123.139 0.274 . . . . 25.0 111.011 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.05 -48.16 83.02 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.972 -0.291 . . . . 25.0 110.848 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -67.27 -40.53 86.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.03 -0.419 . . . . 25.0 111.41 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -64.04 -45.86 87.0 Favored 'General case' 0 CA--C 1.511 -0.551 0 O-C-N 122.236 -0.29 . . . . 25.0 110.561 178.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -39.55 87.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.682 -0.407 . . . . 25.0 111.495 -178.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -63.16 -44.84 94.36 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.274 0.559 . . . . 25.0 110.773 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -71.92 -44.24 63.98 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.469 -0.493 . . . . 25.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.89 -37.04 83.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.963 0.411 . . . . 25.0 110.922 178.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.07 -42.84 91.32 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.293 -0.632 . . . . 25.0 109.293 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.31 -31.29 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.093 -0.379 . . . . 25.0 111.799 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -70.6 -49.66 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.196 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.17 -31.14 70.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.971 -178.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.54 -44.19 78.93 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 120.93 0.395 . . . . 25.0 110.775 176.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.33 -43.58 83.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.929 0.395 . . . . 25.0 110.218 177.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -68.8 -36.7 78.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.916 -0.49 . . . . 25.0 110.462 177.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -61.99 -42.14 98.82 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-O 120.883 0.373 . . . . 25.0 110.141 178.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -70.1 -33.23 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.117 -0.364 . . . . 25.0 111.567 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.27 66.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.488 0.185 . . . . 25.0 110.649 177.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 -41.05 29.71 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.227 0.537 . . . . 25.0 111.025 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.82 -59.11 2.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.104 0.409 . . . . 25.0 112.104 -176.344 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 50.14 16.8 0.27 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.44 1.644 . . . . 25.0 115.44 -174.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -134.25 10.57 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.736 0.779 . . . . 25.0 111.954 -176.142 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -138.81 94.23 2.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.163 179.482 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--O 1.214 -0.792 0 CA-C-O 124.135 1.921 . . . . 25.0 109.832 -178.086 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 122.576 1.098 . . . . 25.0 115.529 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -140.9 145.09 35.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.53 -0.983 . . . . 25.0 110.035 177.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 64.2 mtm 64.62 164.75 0.15 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.124 1.369 . . . . 25.0 114.391 -179.253 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.1 p -154.67 145.94 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.017 -1.845 . . . . 25.0 106.017 179.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -100.71 176.51 5.28 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.928 0.491 . . . . 25.0 110.081 -178.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 53.64 63.41 2.21 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 173.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -57.58 129.68 42.92 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.292 -0.255 . . . . 25.0 110.9 177.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 2.5 m -64.55 104.57 0.82 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.143 0.497 . . . . 25.0 112.106 178.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.87 59.56 1.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 25.0 110.219 -179.399 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -131.78 100.72 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 25.0 109.538 178.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 p -157.61 141.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 103.427 -2.805 . . . . 25.0 103.427 179.026 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.9 164.49 37.81 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 106.792 -1.559 . . . . 25.0 106.792 -178.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 96.4 mtp -87.6 129.26 35.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.168 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.29 176.77 48.03 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t0 37.87 55.47 1.59 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.644 1.72 . . . . 25.0 115.644 175.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 65.3 p -85.41 38.47 0.73 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 121.587 -0.696 . . . . 25.0 110.381 179.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 62.0 t -85.9 113.44 24.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.989 0.899 . . . . 25.0 109.603 -177.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.4 m -88.93 73.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -175.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 86.51 -25.27 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.462 1 N-CA-C 122.064 4.098 . . . . 25.0 122.064 172.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.58 136.37 30.66 Favored 'Trans proline' 0 C--N 1.362 1.242 1 C-N-CA 110.441 -5.906 . . . . 25.0 111.935 176.435 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.11 154.34 42.08 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -173.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.92 -178.78 4.38 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 CA-C-O 121.849 0.687 . . . . 25.0 111.537 171.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.406 HD23 ' H ' ' B' ' 123' ' ' LEU . 2.2 pt? -59.52 147.49 36.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.891 -1.151 . . . . 25.0 107.891 174.227 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -50.28 -33.74 8.91 Favored Pre-proline 0 CA--C 1.552 1.025 0 N-CA-C 121.304 3.816 . . . . 25.0 121.304 -168.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.14 96.1 0.86 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 113.697 -3.735 . . . . 25.0 114.343 178.143 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.0 121.66 19.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 178.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 47.7 t -162.57 141.97 9.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -143.1 87.24 8.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 176.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.27 132.48 16.5 Favored 'Trans proline' 0 C--N 1.352 0.74 0 N-CA-C 114.704 1.002 . . . . 25.0 114.704 -174.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 40.4 p -96.53 14.41 24.75 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.67 179.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 66.57 11.0 7.83 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.56 -170.25 44.07 Favored Glycine 0 C--N 1.319 -0.386 0 CA-C-N 115.962 -0.563 . . . . 25.0 113.358 175.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.36 144.04 49.67 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 CA-C-N 118.59 1.195 . . . . 25.0 112.105 -178.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -80.55 43.48 1.54 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 N-CA-C 114.562 0.947 . . . . 25.0 114.562 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 66.81 41.78 93.4 Favored Glycine 0 C--O 1.224 -0.486 0 C-N-CA 120.987 -0.625 . . . . 25.0 113.123 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -85.57 22.0 1.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -145.01 149.13 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 179.004 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.04 129.42 1.05 Allowed Glycine 0 C--O 1.224 -0.492 0 N-CA-C 111.103 -0.799 . . . . 25.0 111.103 176.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.65 157.15 12.47 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.816 -0.514 . . . . 25.0 111.816 -177.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 5.6 t 54.19 26.44 6.7 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 74.8 mt -84.76 46.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.121 -0.49 . . . . 25.0 110.239 -179.024 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 94.3 mt -127.59 136.75 52.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.479 0.657 . . . . 25.0 111.165 -174.4 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.7 p -149.19 149.71 31.44 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 103.104 -2.925 . . . . 25.0 103.104 172.156 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.97 139.38 20.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 105.376 -2.083 . . . . 25.0 105.376 -178.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.4 mm -107.04 122.2 60.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.1 t -103.18 -4.24 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.93 0.871 . . . . 25.0 108.725 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 51.56 17.92 0.63 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.058 2.244 . . . . 25.0 117.058 175.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . 78.62 2.24 84.75 Favored Glycine 0 C--O 1.222 -0.599 0 O-C-N 122.008 -0.433 . . . . 25.0 112.615 179.058 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.06 125.96 23.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 -179.498 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.39 44.61 0.16 Allowed Glycine 0 C--O 1.223 -0.572 0 CA-C-N 115.832 -0.622 . . . . 25.0 112.079 -179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -104.42 -125.07 0.22 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.446 0.298 . . . . 25.0 110.92 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp 67.06 122.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.841 1.656 . . . . 25.0 114.543 -178.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.5 m -83.84 68.66 10.03 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.956 -1.02 . . . . 25.0 113.653 -175.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 154' ' ' VAL . 3.3 m -81.58 49.75 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.896 0.855 . . . . 25.0 110.827 176.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.31 167.91 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.035 -0.984 . . . . 25.0 109.626 -176.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.59 106.03 9.4 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 169.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.47 -21.85 22.09 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 115.411 -2.593 . . . . 25.0 114.692 -171.048 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.28 -48.96 68.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.533 0.682 . . . . 25.0 112.041 -176.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . 0.4 ' H ' HG12 ' B' ' 159' ' ' VAL . 1.3 p -73.45 -32.3 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 178.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.9 92.74 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.643 -0.423 . . . . 25.0 110.58 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -65.15 -45.4 85.14 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 122.202 -0.311 . . . . 25.0 111.06 176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.84 -39.29 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.156 0.503 . . . . 25.0 110.246 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.95 98.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.223 179.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 27.3 p -71.25 -33.8 70.16 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 119.481 -0.888 . . . . 25.0 111.14 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -57.04 -46.6 82.28 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.915 0.388 . . . . 25.0 110.972 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.05 -41.48 86.42 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.794 -0.763 . . . . 25.0 111.556 179.272 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.89 -45.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.186 . . . . 25.0 111.487 -175.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.02 -45.59 94.19 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.234 -0.586 . . . . 25.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -67.41 -36.58 81.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -177.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -62.02 -41.78 98.46 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.9 t -68.39 -37.38 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 122.275 -0.266 . . . . 25.0 111.316 178.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -63.02 -37.02 85.52 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.514 176.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.63 -20.84 61.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.68 -16.49 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.527 0.68 . . . . 25.0 109.884 175.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -93.67 -0.49 56.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.61 -0.723 . . . . 25.0 112.157 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 64.07 -145.28 49.59 Favored Glycine 0 C--O 1.217 -0.925 0 C-N-CA 119.749 -1.215 . . . . 25.0 110.177 -176.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -81.5 -54.55 3.47 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 116.612 1.405 . . . . 25.0 116.612 -178.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 12.4 m -133.17 46.52 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 -170.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -111.18 102.45 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.294 1.045 . . . . 25.0 110.072 175.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.212 -0.912 0 CA-C-O 124.399 2.047 . . . . 25.0 112.568 175.962 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.504 2.265 0 CA-C-O 122.765 1.269 . . . . 25.0 113.582 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -94.15 -1.0 54.92 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.699 -1.251 . . . . 25.0 110.198 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -56.05 -40.32 73.34 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -176.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -68.66 -35.77 77.69 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.758 0.281 . . . . 25.0 111.758 178.021 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -65.14 -38.22 89.9 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 -173.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.15 -28.94 68.54 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.506 177.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mm -66.12 -51.71 56.64 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.78 0 N-CA-C 107.175 -1.417 . . . . 25.0 107.175 175.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.1 mtp -62.29 -36.25 81.54 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 119.061 -0.495 . . . . 25.0 111.666 -176.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.12 93.15 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.571 -0.452 . . . . 25.0 110.388 176.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.14 80.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.783 0.802 . . . . 25.0 109.833 179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.02 -39.63 93.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.846 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.06 -39.14 92.83 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -61.75 -49.23 77.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -178.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -12.87 60.2 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.94 1.089 . . . . 25.0 113.94 -176.19 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -121.21 8.69 10.33 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.997 0.74 . . . . 25.0 112.997 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.64 -54.99 39.63 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 120.454 0.169 . . . . 25.0 111.125 -176.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.87 -30.78 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.667 0.27 . . . . 25.0 110.702 -177.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.98 -44.2 77.19 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.848 -0.533 . . . . 25.0 111.082 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -73.32 -36.36 66.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 25.0 109.705 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -63.23 -47.49 82.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.049 0.218 . . . . 25.0 110.704 176.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -66.12 -39.31 89.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.914 -0.491 . . . . 25.0 111.553 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -66.92 -41.69 86.61 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.29 -0.564 . . . . 25.0 110.727 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.59 -33.93 77.06 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.757 -0.589 . . . . 25.0 110.935 178.079 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.57 76.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 25.0 110.684 176.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -70.23 -33.31 71.5 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.109 -0.369 . . . . 25.0 110.979 -179.311 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -88.9 -38.87 14.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HE2' HD22 ' A' ' 37' ' ' LEU . 32.6 m-85 -131.6 68.69 81.2 Favored Pre-proline 0 C--O 1.241 0.629 0 O-C-N 123.357 0.411 . . . . 25.0 110.97 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.28 141.94 77.43 Favored 'Trans proline' 0 C--O 1.216 -0.601 0 C-N-CA 115.445 -2.57 . . . . 25.0 112.303 -176.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.96 -25.91 2.15 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 116.244 1.258 . . . . 25.0 116.244 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -88.47 84.36 6.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.568 -0.96 . . . . 25.0 109.739 -173.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -52.18 -46.95 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -60.89 -49.64 76.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.705 -0.622 . . . . 25.0 111.16 -178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -61.79 -36.59 81.53 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 121.568 -0.707 . . . . 25.0 111.679 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -62.36 -46.08 90.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.552 178.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.63 -39.69 94.99 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.87 -0.519 . . . . 25.0 110.643 -179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.04 -41.76 93.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 110.28 -0.267 . . . . 25.0 110.28 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 23' ' ' ALA . 50.6 tp -64.78 -43.33 93.58 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.588 -0.695 . . . . 25.0 109.623 175.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.7 mt -61.45 -40.66 87.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 O-C-N 121.671 -0.643 . . . . 25.0 111.206 -178.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.83 -35.03 79.3 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 121.471 -0.768 . . . . 25.0 110.9 -177.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -66.59 -42.41 86.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.261 0.553 . . . . 25.0 110.39 174.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD22 HD12 ' B' ' 168' ' ' LEU . 85.4 mt -65.84 -38.88 90.07 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 121.53 -0.732 . . . . 25.0 111.079 -178.274 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -66.45 -42.03 88.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -65.72 -51.78 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.966 0.412 . . . . 25.0 111.037 178.231 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.24 -38.44 83.44 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 122.119 -0.363 . . . . 25.0 111.547 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -61.36 -45.73 93.18 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 122.19 -0.319 . . . . 25.0 110.268 177.045 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.57 -44.41 97.09 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.353 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.58 -49.63 76.75 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.755 -0.378 . . . . 25.0 111.988 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -64.74 -42.29 95.3 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-O 120.43 0.157 . . . . 25.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -58.21 -49.59 76.52 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 110.256 -0.276 . . . . 25.0 110.256 178.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -42.23 98.98 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.513 -0.475 . . . . 25.0 111.282 -177.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -65.79 -43.17 89.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.79 0.268 . . . . 25.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -69.6 -43.11 73.45 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.919 0.39 . . . . 25.0 110.379 -179.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.94 -36.21 78.75 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 122.602 0.361 . . . . 25.0 110.186 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.23 -40.11 80.86 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 -178.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -71.92 -34.98 69.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 179.008 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.9 t -70.8 -47.72 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 120.536 -0.466 . . . . 25.0 110.659 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.33 -33.47 76.05 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.09 -38.57 82.47 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.0 -0.437 . . . . 25.0 111.183 177.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.13 95.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.354 0.597 . . . . 25.0 109.402 178.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -70.08 -36.66 75.08 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.557 0.694 . . . . 25.0 110.687 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -66.5 -39.27 88.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.732 -0.605 . . . . 25.0 111.191 176.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.94 -34.49 78.09 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.163 175.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.72 -28.24 66.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.163 0.185 . . . . 25.0 110.85 178.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.67 -38.92 25.14 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.972 0.415 . . . . 25.0 111.529 174.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.93 -56.01 6.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -176.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 38.44 35.43 0.1 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 115.572 1.693 . . . . 25.0 115.572 -176.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp 55.05 21.54 3.88 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -179.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -124.17 60.76 1.12 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 122.801 1.286 . . . . 25.0 112.644 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.215 -0.746 0 CA-C-O 123.936 1.827 . . . . 25.0 111.052 175.435 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 122.848 1.249 . . . . 25.0 116.033 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 26.74 4.0 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 121.885 -0.773 . . . . 25.0 110.574 -177.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 56.3 mtt 60.34 178.95 0.1 Allowed 'General case' 0 N--CA 1.481 1.081 0 O-C-N 124.341 1.025 . . . . 25.0 112.009 -176.131 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.23 148.65 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 178.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.8 46.85 1.36 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.438 -0.789 . . . . 25.0 112.177 178.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.17 64.57 1.07 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.967 0.889 . . . . 25.0 109.012 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -86.89 41.65 0.98 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.055 0.761 . . . . 25.0 113.055 -175.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.0 m -77.43 58.6 1.73 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.811 1.411 . . . . 25.0 114.811 -176.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 55.85 32.73 20.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.861 0.865 . . . . 25.0 112.027 179.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.56 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.438 0.637 . . . . 25.0 111.928 -178.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 m -110.58 68.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.278 0.561 . . . . 25.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -28.47 69.12 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.433 -0.58 . . . . 25.0 109.433 175.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 41.8 ttm 31.73 72.76 0.07 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 172.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 32.97 3.1 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.573 178.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -141.77 106.04 4.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.185 -2.154 . . . . 25.0 105.185 -179.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.9 p -98.21 9.39 43.06 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 114.398 -1.274 . . . . 25.0 112.069 -176.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.29 112.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.694 0.759 . . . . 25.0 111.351 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -125.9 96.15 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.12 -27.84 0.09 OUTLIER Pre-proline 0 CA--C 1.55 0.977 0 N-CA-C 117.677 2.473 . . . . 25.0 117.677 -178.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -80.12 4.14 7.03 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 113.304 -3.997 . . . . 25.0 113.754 179.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.78 141.46 90.0 Favored Pre-proline 0 C--O 1.234 0.289 0 O-C-N 122.271 -0.268 . . . . 25.0 111.592 -178.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -79.47 -176.92 3.51 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 CA-C-O 121.607 0.586 . . . . 25.0 111.669 173.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 pp -61.37 148.34 41.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 169.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -60.47 -45.38 97.34 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 117.97 2.582 . . . . 25.0 117.97 -171.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.64 135.63 24.29 Favored 'Trans proline' 0 CA--C 1.539 0.739 1 C-N-CA 112.403 -4.598 . . . . 25.0 114.006 -175.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.9 t -155.72 172.74 17.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 179.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -132.32 115.83 16.11 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -132.79 79.61 63.39 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 121.541 0.686 . . . . 25.0 111.029 -175.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -78.65 144.05 19.4 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 118.124 -0.784 . . . . 25.0 112.904 -178.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 58.1 p -112.27 -7.83 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.718 -0.614 . . . . 25.0 111.498 178.708 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 22.8 p -153.46 165.49 35.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -102.51 169.48 19.46 Favored Glycine 0 C--O 1.234 0.154 0 N-CA-C 109.099 -1.6 . . . . 25.0 109.099 177.398 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.99 146.49 47.25 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 CA-C-N 119.138 1.469 . . . . 25.0 112.835 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -81.56 54.14 4.99 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.107 1.205 . . . . 25.0 113.152 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.62 -155.56 16.47 Favored Glycine 0 C--O 1.215 -1.035 0 N-CA-C 109.236 -1.545 . . . . 25.0 109.236 -174.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -150.8 -55.5 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.858 0.329 . . . . 25.0 111.195 179.333 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -146.27 -58.16 0.3 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.759 1.022 . . . . 25.0 113.759 -179.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 85.96 -161.0 34.31 Favored Glycine 0 C--O 1.221 -0.663 0 N-CA-C 110.328 -1.109 . . . . 25.0 110.328 -176.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.36 59.35 0.47 Allowed Glycine 0 C--O 1.221 -0.71 0 C-N-CA 121.226 -0.512 . . . . 25.0 112.864 179.203 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 4.0 p -132.38 77.94 1.78 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.072 0.463 . . . . 25.0 111.002 -178.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.4 tp -139.21 70.2 1.37 Allowed 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.579 -178.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.61 130.76 40.65 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -152.22 157.3 41.27 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 104.55 -2.389 . . . . 25.0 104.55 174.561 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.21 125.3 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 108.608 -0.886 . . . . 25.0 108.608 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mt -75.15 125.18 34.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 -179.423 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 t -141.37 -0.63 1.4 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 121.678 0.752 . . . . 25.0 112.582 -178.424 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 47.4 28.14 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.97 10.32 72.12 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.574 -0.822 . . . . 25.0 114.975 -176.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 t -138.63 125.36 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 116.835 0.318 . . . . 25.0 110.168 -177.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -104.9 62.76 0.34 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 111.004 -0.839 . . . . 25.0 111.004 178.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 154.45 41.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 25.0 111.904 -178.854 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.74 -48.59 76.42 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 -175.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 6.5 t -173.13 -167.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 103.895 -2.631 . . . . 25.0 103.895 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.31 9.14 8.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 114.837 -1.074 . . . . 25.0 109.628 176.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 44.4 pt -140.78 164.27 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 115.514 -0.766 . . . . 25.0 111.278 -173.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -90.72 106.64 16.14 Favored Pre-proline 0 C--O 1.248 0.977 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 169.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.46 -20.41 27.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 115.179 -2.747 . . . . 25.0 114.209 -172.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -67.72 -45.53 74.78 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.774 0.797 . . . . 25.0 110.855 -179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.86 -40.54 86.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.44 91.06 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 114.837 -1.074 . . . . 25.0 111.795 -178.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.83 -45.0 83.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.111 0.414 . . . . 25.0 110.761 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.12 -40.71 94.81 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.983 -0.687 . . . . 25.0 110.108 178.639 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.05 91.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.245 -0.434 . . . . 25.0 111.194 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 8.3 p -72.38 -31.46 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.951 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.18 -47.68 83.41 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 179.302 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.19 -42.87 96.48 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.233 -0.292 . . . . 25.0 110.758 178.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 24.8 t -59.83 -43.19 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 110.23 -0.285 . . . . 25.0 110.23 -177.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 41' ' ' LEU . 4.4 mp -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 25.0 111.847 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.16 -36.02 78.98 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.762 -0.375 . . . . 25.0 111.345 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -60.82 -43.7 97.89 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 176.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.13 -35.65 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 121.871 -0.518 . . . . 25.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.69 -36.02 81.57 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.959 -0.463 . . . . 25.0 111.058 175.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -77.37 -29.0 53.09 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.985 0.735 . . . . 25.0 112.985 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 59.6 mt -65.85 -14.82 62.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.824 -0.548 . . . . 25.0 111.156 177.05 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -87.36 0.61 55.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 25.0 111.188 178.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 78.49 178.73 50.24 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 -178.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -79.5 20.6 4.99 Favored Glycine 0 C--O 1.217 -0.91 0 O-C-N 122.168 -0.607 . . . . 25.0 114.488 -177.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.89 9.57 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.425 0.631 . . . . 25.0 111.166 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.15 1.47 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.18 1.943 . . . . 25.0 110.809 178.675 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.505 2.321 0 CA-C-O 123.801 1.762 . . . . 25.0 113.52 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 53.71 28.42 8.09 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.997 1.319 . . . . 25.0 113.557 -178.343 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.99 -28.05 62.03 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.115 1.154 . . . . 25.0 114.115 -175.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -76.3 -34.5 59.06 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.826 -0.546 . . . . 25.0 112.15 176.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.11 -43.23 99.02 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.757 0.253 . . . . 25.0 111.101 -174.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -62.05 -35.23 77.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.353 0.597 . . . . 25.0 111.059 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.45 -51.89 58.31 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 O-C-N 121.496 -0.752 . . . . 25.0 109.32 175.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -61.84 -37.97 86.47 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 120.17 -0.612 . . . . 25.0 111.549 -175.012 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.72 -38.88 92.22 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.329 0.585 . . . . 25.0 110.426 177.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.5 73.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 25.0 110.18 -177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.1 mt -66.65 -40.81 88.82 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.868 -0.605 . . . . 25.0 110.579 177.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.66 -34.51 78.37 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -178.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -60.83 -54.29 46.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.768 0.655 . . . . 25.0 112.768 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -15.98 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -175.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.4 p -114.66 9.09 16.41 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 121.827 -0.546 . . . . 25.0 111.919 -177.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.26 28.8 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 116.576 -0.284 . . . . 25.0 111.108 -177.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.21 -33.44 54.58 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -177.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.97 -45.41 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.621 -0.675 . . . . 25.0 111.156 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -72.73 -37.24 67.81 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.821 -0.55 . . . . 25.0 110.444 179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.25 -38.89 91.75 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -64.72 -42.09 95.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.718 -0.475 . . . . 25.0 109.718 178.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.08 -41.26 90.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.448 0.642 . . . . 25.0 111.707 178.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.71 -35.01 78.33 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 121.893 -0.505 . . . . 25.0 109.853 179.285 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.13 68.27 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 118.842 -0.599 . . . . 25.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -72.27 -28.67 63.27 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 119.359 0.981 . . . . 25.0 111.512 178.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -87.7 -39.89 14.6 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HE2' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -132.81 66.88 77.38 Favored Pre-proline 0 C--O 1.241 0.623 0 O-C-N 122.33 -0.231 . . . . 25.0 110.861 -177.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.03 141.5 64.35 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 116.647 -1.769 . . . . 25.0 111.121 -174.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.88 -27.48 1.96 Allowed Glycine 0 C--O 1.244 0.743 0 N-CA-C 116.039 1.176 . . . . 25.0 116.039 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.35 84.8 6.06 Favored 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 121.479 -1.012 . . . . 25.0 110.283 -174.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -55.96 -33.28 64.62 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.808 0.67 . . . . 25.0 112.808 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -67.23 -50.81 59.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.318 0.58 . . . . 25.0 109.774 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -62.13 -35.28 78.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 25.0 110.609 178.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -62.27 -45.82 91.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.568 177.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -64.99 -39.67 93.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.304 -0.247 . . . . 25.0 111.564 179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -59.66 -44.98 94.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.309 -0.256 . . . . 25.0 110.309 178.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.6 tp -66.11 -40.34 90.65 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.856 -0.527 . . . . 25.0 110.517 178.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.85 -39.89 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -55.86 -44.99 78.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.44 0.564 . . . . 25.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.48 -42.82 95.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.744 0.783 . . . . 25.0 110.396 -178.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.82 -40.81 92.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.692 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -65.76 -42.56 90.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.686 0.279 . . . . 25.0 111.669 -179.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.94 -48.72 67.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.195 0.522 . . . . 25.0 110.017 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -62.09 -37.03 83.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.865 -0.522 . . . . 25.0 111.441 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -61.01 -43.4 98.94 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.615 176.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.17 -45.01 95.3 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 120.759 -0.377 . . . . 25.0 111.313 178.158 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -60.33 -51.14 70.78 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.273 -0.571 . . . . 25.0 110.856 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.84 -42.24 97.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.87 -0.15 . . . . 25.0 110.956 -179.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -62.41 -45.0 95.09 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 121.884 -0.51 . . . . 25.0 110.32 179.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -42.11 87.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.379 0.536 . . . . 25.0 110.83 -177.638 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -65.22 -40.24 93.83 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.646 179.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -73.06 -41.85 63.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.257 -0.275 . . . . 25.0 110.257 -179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.14 -40.14 84.55 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 123.059 0.544 . . . . 25.0 110.131 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -58.35 -40.72 82.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 -178.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -73.04 -31.48 64.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.003 0.372 . . . . 25.0 112.003 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.54 -46.95 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.761 -0.587 . . . . 25.0 110.186 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -69.35 -31.56 70.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -178.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.7 tp -67.36 -39.49 85.72 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.958 176.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.81 91.46 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 -178.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -72.39 -37.39 68.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.32 0.581 . . . . 25.0 110.506 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.68 -40.76 97.62 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.987 -0.445 . . . . 25.0 111.262 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -68.21 -35.22 77.65 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 121.87 -0.519 . . . . 25.0 110.333 178.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.21 67.68 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 122.201 -0.312 . . . . 25.0 110.657 176.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.87 -19.44 57.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.928 0.394 . . . . 25.0 110.654 176.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -96.41 -55.07 3.05 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 -177.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 49.23 34.43 6.14 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.185 0.994 . . . . 25.0 112.312 -176.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -121.67 29.74 7.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.493 0.663 . . . . 25.0 111.38 -173.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -121.01 80.12 1.6 Allowed 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 122.378 1.085 . . . . 25.0 110.911 -176.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 C--O 1.206 -1.232 0 N-CA-C 114.976 1.473 . . . . 25.0 114.976 -177.901 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.74 26.78 13.49 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.131 1.372 . . . . 25.0 113.581 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 75.8 mtm -78.19 137.29 38.07 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.5 145.06 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.217 -1.401 . . . . 25.0 107.217 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -72.77 142.41 48.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 25.0 111.582 179.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.94 159.58 42.97 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -118.54 18.29 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.59 0.71 . . . . 25.0 109.99 177.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -68.86 150.41 47.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.718 -177.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 43.1 mt 59.3 24.73 13.27 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.704 1.372 . . . . 25.0 114.704 177.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.14 110.72 17.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.029 -0.419 . . . . 25.0 110.011 178.42 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.74 43.92 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 121.858 0.837 . . . . 25.0 111.376 -175.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.91 -0.33 57.29 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 -176.676 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 51.8 mtt 54.89 -156.33 0.24 Allowed 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.562 0.538 . . . . 25.0 111.672 -174.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.17 165.04 12.12 Favored Glycine 0 C--O 1.219 -0.784 0 N-CA-C 111.818 -0.513 . . . . 25.0 111.818 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -85.04 52.35 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.203 1.002 . . . . 25.0 110.355 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 32.0 p -115.23 41.08 2.52 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.306 -0.861 . . . . 25.0 108.75 -175.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.53 130.87 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.77 80.35 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.635 0.731 . . . . 25.0 111.91 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -97.94 -64.2 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 103.732 -2.692 . . . . 25.0 103.732 166.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.96 154.7 42.89 Favored 'Trans proline' 0 C--N 1.358 1.074 1 C-N-CA 111.839 -4.974 . . . . 25.0 110.044 163.377 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.39 60.22 50.96 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 113.378 0.881 . . . . 25.0 113.378 179.159 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -71.93 143.63 41.3 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 114.77 -3.02 . . . . 25.0 111.067 177.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.81 146.65 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 121.975 -0.453 . . . . 25.0 110.32 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 46.7 42.42 1.11 Allowed Pre-proline 0 CA--C 1.56 1.338 0 N-CA-C 116.035 1.865 . . . . 25.0 116.035 179.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -87.18 -4.86 7.72 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 114.94 -2.907 . . . . 25.0 114.925 -178.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 36.3 p -101.27 139.93 36.25 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 -172.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 9.5 m 67.59 170.22 0.26 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 125.073 1.483 . . . . 25.0 114.826 176.041 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -130.45 120.59 18.95 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 178.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.33 123.35 7.64 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 117.664 -1.091 . . . . 25.0 114.318 -172.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.72 135.52 47.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 176.313 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 73.7 m -160.76 145.81 14.31 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.67 -169.06 54.81 Favored Glycine 0 N--CA 1.464 0.51 0 C-N-CA 120.603 -0.808 . . . . 25.0 113.571 175.902 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.11 164.72 29.1 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 CA-C-N 118.174 0.987 . . . . 25.0 110.685 179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.12 -0.59 10.48 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 117.875 -0.95 . . . . 25.0 114.082 179.245 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.64 161.89 35.42 Favored Glycine 0 C--N 1.321 -0.297 0 N-CA-C 114.939 0.736 . . . . 25.0 114.939 178.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -168.69 -33.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.681 -0.26 . . . . 25.0 111.45 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 69.58 -169.01 0.17 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.176 1.39 . . . . 25.0 111.496 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.97 -168.56 18.17 Favored Glycine 0 C--O 1.228 -0.229 0 N-CA-C 112.358 -0.297 . . . . 25.0 112.358 -176.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 95.21 4.79 61.0 Favored Glycine 0 C--O 1.223 -0.532 0 N-CA-C 115.849 1.1 . . . . 25.0 115.849 178.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 46.0 p -86.96 56.57 4.07 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.474 0.916 . . . . 25.0 113.474 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -103.17 20.75 17.09 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 -177.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.1 mt -100.6 134.52 43.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 113.541 0.941 . . . . 25.0 113.541 -173.318 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 29.2 m -157.67 160.03 37.56 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.3 145.28 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.87 128.66 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 106.121 -1.807 . . . . 25.0 106.121 178.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -111.91 0.06 15.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 25.0 111.774 -178.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 34.64 62.78 0.49 Allowed 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.77 46.06 3.61 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-N 115.203 -0.908 . . . . 25.0 112.265 -178.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.14 144.15 32.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 -176.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.51 -53.12 0.42 Allowed Glycine 0 N--CA 1.463 0.458 0 N-CA-C 110.811 -0.915 . . . . 25.0 110.811 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.28 160.3 15.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 175.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -134.37 123.31 23.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.964 -0.384 . . . . 25.0 109.964 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 19.6 m 43.77 51.15 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 176.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.6 p -72.15 -5.98 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 114.83 1.419 . . . . 25.0 114.83 -175.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.05 168.34 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 121.407 -0.808 . . . . 25.0 112.618 -177.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -64.24 112.62 8.01 Favored Pre-proline 0 C--O 1.243 0.734 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 173.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -76.27 -16.86 17.26 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 115.201 -2.732 . . . . 25.0 113.667 -174.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.24 -52.5 61.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.602 0.715 . . . . 25.0 112.011 -176.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.24 -36.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.05 85.79 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 120.423 -0.511 . . . . 25.0 111.687 -175.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.61 -41.27 92.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 25.0 111.248 177.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -62.74 -42.64 99.77 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.97 99.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 25.0 112.663 -176.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.1 p -73.16 -32.56 64.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.16 -0.962 . . . . 25.0 110.946 -178.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -63.66 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 -179.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.43 -41.61 93.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.878 -0.514 . . . . 25.0 111.892 176.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.56 -41.64 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.321 0.582 . . . . 25.0 110.663 -179.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.03 -42.3 99.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 25.0 111.551 179.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -70.42 -40.09 74.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.538 -0.865 . . . . 25.0 111.823 179.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -63.37 -41.72 98.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.559 -0.713 . . . . 25.0 111.494 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.96 -33.45 51.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.497 178.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.86 -36.86 85.32 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 121.389 -0.819 . . . . 25.0 109.881 177.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.9 -35.9 42.85 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -176.058 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.1 -17.3 64.62 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.732 -0.605 . . . . 25.0 110.789 179.004 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -76.84 -12.45 59.97 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.318 0.858 . . . . 25.0 113.318 176.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 75.82 -177.78 49.38 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.326 -0.94 . . . . 25.0 111.825 -178.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -118.33 34.11 4.56 Favored Glycine 0 C--O 1.216 -1.007 0 N-CA-C 114.209 0.444 . . . . 25.0 114.209 -176.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.5 p -102.58 1.78 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.37 0.605 . . . . 25.0 111.234 -176.644 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 52.12 47.41 24.81 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.187 -0.915 . . . . 25.0 112.766 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.487 1.425 0 C-N-CA 126.325 1.85 . . . . 25.0 111.857 -179.136 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mmm . . . . . 0 N--CA 1.518 2.965 0 N-CA-C 116.455 2.02 . . . . 25.0 116.455 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 61.73 -1.96 0.3 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.29 1.836 . . . . 25.0 115.415 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -54.48 -36.68 64.41 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 113.699 1.0 . . . . 25.0 113.699 -177.418 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.65 -32.94 72.1 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.781 -0.574 . . . . 25.0 111.861 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -64.98 -40.83 95.54 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -174.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -67.73 -28.89 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.472 -0.891 . . . . 25.0 110.731 178.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 mm -65.92 -52.32 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 177.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtp -62.29 -36.02 80.83 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 120.223 -0.591 . . . . 25.0 110.77 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.87 -39.51 94.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 25.0 111.066 176.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.19 78.26 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.295 0.569 . . . . 25.0 109.974 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.6 mt -65.97 -38.71 89.26 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 115.667 -0.697 . . . . 25.0 110.884 178.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -38.74 92.33 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.031 -1.1 . . . . 25.0 108.031 -179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -64.43 -50.42 67.63 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -176.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -8.36 56.47 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -175.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -123.27 10.27 9.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.562 -0.711 . . . . 25.0 111.954 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.44 -54.11 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.242 0.544 . . . . 25.0 110.789 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.92 -31.29 44.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 122.109 -0.369 . . . . 25.0 110.485 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -66.65 -47.08 73.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.082 0.468 . . . . 25.0 111.58 -178.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -70.09 -34.67 73.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.1 -43.31 82.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.514 0.19 . . . . 25.0 111.514 178.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -63.08 -39.92 96.12 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.191 0.519 . . . . 25.0 110.843 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.14 -40.62 71.24 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.75 -0.594 . . . . 25.0 111.523 178.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.09 -34.8 78.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.586 -0.696 . . . . 25.0 110.306 178.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.22 77.68 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 112.505 0.557 . . . . 25.0 112.505 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.27 -24.19 46.94 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.197 -0.94 . . . . 25.0 111.107 -178.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -85.6 -40.8 15.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.852 1.056 . . . . 25.0 113.852 175.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' HE2' HD22 ' A' ' 37' ' ' LEU . 41.4 m-85 -132.9 69.76 78.98 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-O 120.859 0.362 . . . . 25.0 110.86 -179.176 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.7 145.47 81.43 Favored 'Trans proline' 0 C--O 1.222 -0.318 0 C-N-CA 116.227 -2.048 . . . . 25.0 111.9 -177.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -27.77 1.5 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 115.971 1.148 . . . . 25.0 115.971 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -89.0 87.38 7.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 118.36 1.08 . . . . 25.0 111.099 -173.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -51.72 -47.59 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -179.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.25 -50.11 74.94 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.521 -0.737 . . . . 25.0 110.838 -177.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -62.63 -35.37 79.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.621 0.23 . . . . 25.0 111.621 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -62.76 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 176.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -39.23 93.47 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.677 0.672 . . . . 25.0 111.556 178.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.56 -39.74 86.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.683 HD23 ' HA ' ' A' ' 23' ' ' ALA . 19.4 tp -67.46 -44.86 77.62 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.094 -1.004 . . . . 25.0 110.576 173.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.78 -40.89 88.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.855 0.298 . . . . 25.0 111.34 -178.081 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -63.54 -34.6 78.15 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.426 -0.796 . . . . 25.0 112.486 -176.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -66.4 -43.21 86.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.564 0.697 . . . . 25.0 109.697 175.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.56 -38.65 91.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.707 -178.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.32 -43.42 97.82 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.963 -0.461 . . . . 25.0 111.479 -179.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.19 -52.43 34.51 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.972 0.415 . . . . 25.0 110.513 -179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -59.46 -37.24 77.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.995 0.426 . . . . 25.0 111.931 -179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.81 -43.57 94.44 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.872 -0.418 . . . . 25.0 109.872 176.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.84 -43.09 94.17 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.379 -0.529 . . . . 25.0 111.799 179.524 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -61.71 -50.89 70.65 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.692 -179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.55 -38.03 89.61 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 116.845 -0.161 . . . . 25.0 110.789 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -63.61 -48.64 76.5 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.701 -0.625 . . . . 25.0 110.962 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -39.22 90.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.747 -0.595 . . . . 25.0 109.656 -177.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.84 -46.11 86.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 25.0 111.13 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -70.66 -42.6 70.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 122.343 -0.223 . . . . 25.0 110.949 -177.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.69 -37.91 80.13 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -59.56 -40.46 87.41 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.92 -0.4 . . . . 25.0 109.92 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.16 -30.18 66.13 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 120.66 -0.416 . . . . 25.0 111.748 178.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.71 -49.04 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 121.509 -0.745 . . . . 25.0 111.021 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -67.24 -30.5 70.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.629 0.728 . . . . 25.0 109.497 178.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.5 tp -67.6 -39.79 84.75 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 121.909 -0.494 . . . . 25.0 109.783 176.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.197 0.453 . . . . 25.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -75.4 -33.59 60.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.005 0.431 . . . . 25.0 110.777 178.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.17 -37.14 78.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.194 -0.316 . . . . 25.0 110.495 175.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.17 -34.65 78.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.765 -0.457 . . . . 25.0 109.765 175.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.3 -28.64 65.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.865 0.364 . . . . 25.0 111.277 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.42 -21.99 57.77 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.966 0.412 . . . . 25.0 110.865 177.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.84 -52.65 3.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -177.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 47.16 35.11 3.35 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.133 0.973 . . . . 25.0 113.298 -174.375 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -127.47 13.89 7.07 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.395 0.617 . . . . 25.0 111.543 -176.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -138.97 88.2 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.884 0.85 . . . . 25.0 110.961 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--O 1.207 -1.179 0 C-N-CA 125.261 1.424 . . . . 25.0 113.815 179.638 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.184 0 CA-C-O 122.898 1.276 . . . . 25.0 114.92 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.57 97.81 Favored 'General case' 0 C--O 1.219 -0.525 0 O-C-N 121.56 -0.964 . . . . 25.0 111.584 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 22.8 ttm 52.17 32.93 11.37 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.526 1.676 . . . . 25.0 115.526 177.06 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.07 149.4 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 O-C-N 121.539 -0.725 . . . . 25.0 109.736 177.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -119.84 41.98 3.03 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 122.134 0.969 . . . . 25.0 108.45 -179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.08 31.89 6.26 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -173.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -142.65 142.67 32.11 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.601 -0.687 . . . . 25.0 111.506 178.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 10.7 m -141.6 44.18 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -110.22 13.33 23.1 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.625 -0.716 . . . . 25.0 112.422 -170.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.17 18.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.699 0.285 . . . . 25.0 110.685 -178.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.18 108.93 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 174.316 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.17 -1.19 56.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.553 0.692 . . . . 25.0 109.544 -178.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -136.74 160.48 38.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.69 53.77 4.74 Favored Glycine 0 C--N 1.321 -0.256 0 C-N-CA 121.13 -0.557 . . . . 25.0 112.228 176.285 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.14 64.94 3.41 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 122.394 1.092 . . . . 25.0 109.917 -176.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 37.1 p -96.39 -3.61 43.33 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.012 -173.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.41 126.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.69 150.72 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.306 0.3 OUTLIER 95.83 -29.76 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.42 0 N-CA-C 120.246 3.424 . . . . 25.0 120.246 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -81.33 62.79 8.52 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 115.843 -2.305 . . . . 25.0 113.569 179.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 122' ' ' PRO . . . 65.46 169.6 0.1 Allowed Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 124.754 1.222 . . . . 25.0 110.916 -176.386 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 121' ' ' ALA . 74.0 Cg_endo -67.75 148.36 77.2 Favored 'Trans proline' 0 C--N 1.349 0.579 1 C-N-CA 112.851 -4.299 . . . . 25.0 111.053 177.268 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.1 167.47 21.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.802 -0.635 . . . . 25.0 111.045 -175.783 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.324 14.3 pttt 91.35 -30.57 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.302 0 N-CA-C 121.187 3.773 . . . . 25.0 121.187 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.91 104.08 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 112.516 -4.523 . . . . 25.0 112.056 175.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.31 24.98 3.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.342 0.591 . . . . 25.0 111.169 -173.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -88.09 93.38 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.99 -0.55 . . . . 25.0 111.289 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -71.14 153.64 94.32 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-O 120.768 0.318 . . . . 25.0 111.475 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.97 141.1 26.33 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 116.748 -1.701 . . . . 25.0 114.796 -178.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.3 t -76.88 -3.58 39.37 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.859 -0.525 . . . . 25.0 112.398 175.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 12.5 m 51.42 45.81 27.43 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.25 160.82 53.44 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.317 -0.944 . . . . 25.0 111.575 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.95 157.23 47.37 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 CA-C-N 118.856 1.328 . . . . 25.0 112.236 -177.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -69.18 148.08 68.05 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.155 -1.43 . . . . 25.0 111.879 175.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -115.24 156.71 15.47 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.112 -1.195 . . . . 25.0 110.112 179.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -161.73 157.76 24.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.079 -2.934 . . . . 25.0 103.079 177.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.96 165.41 34.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 118.451 0.569 . . . . 25.0 110.401 -176.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -164.95 167.71 38.79 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.141 -1.984 . . . . 25.0 108.141 177.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.48 175.83 48.08 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 109.565 -1.414 . . . . 25.0 109.565 -176.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 47.6 t -154.06 122.31 6.1 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -142.57 82.51 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.539 -2.022 . . . . 25.0 105.539 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.0 pp -153.87 159.22 41.71 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -160.44 162.64 33.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 105.37 -2.085 . . . . 25.0 105.37 -179.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -123.98 121.0 61.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.44 130.96 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 121.404 0.621 . . . . 25.0 110.823 -173.334 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.8 p -100.78 75.75 1.74 Allowed 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 122.136 0.969 . . . . 25.0 111.69 178.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -125.4 35.24 4.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 114.484 -1.235 . . . . 25.0 110.32 -178.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.14 40.78 3.07 Favored Glycine 0 CA--C 1.512 -0.124 0 CA-C-N 115.685 -0.689 . . . . 25.0 113.151 -176.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 14.3 p -133.0 137.3 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.396 0.617 . . . . 25.0 110.427 -178.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 119.27 73.61 0.41 Allowed Glycine 0 N--CA 1.464 0.565 0 C-N-CA 121.022 -0.609 . . . . 25.0 113.543 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.08 157.16 28.06 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 122.549 -0.383 . . . . 25.0 111.071 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 24.1 tp -145.15 130.94 19.05 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.747 -0.206 . . . . 25.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 37.2 p -132.13 91.44 2.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.08 0.467 . . . . 25.0 111.42 -179.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 m -99.7 22.28 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.265 0.555 . . . . 25.0 110.056 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 34.3 pt -140.32 166.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.067 -1.086 . . . . 25.0 108.067 -179.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -84.31 109.42 19.35 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 167.075 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.84 -21.51 28.36 Favored 'Trans proline' 0 C--O 1.239 0.572 0 C-N-CA 114.304 -3.331 . . . . 25.0 113.179 -176.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -68.38 -49.58 59.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.913 0.864 . . . . 25.0 111.209 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.98 -35.98 73.89 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.477 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.4 83.93 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.305 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -63.84 -46.56 84.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 177.642 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.58 -40.42 96.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -178.475 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.78 92.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.047 -0.524 . . . . 25.0 111.586 -179.407 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.3 p -71.96 -35.48 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.92 -0.712 . . . . 25.0 109.535 -178.076 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -57.1 -43.51 82.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 117.954 0.343 . . . . 25.0 111.229 178.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.61 -43.27 99.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.15 -38.78 83.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.495 -0.558 . . . . 25.0 109.495 -176.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.67 -38.15 88.5 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.43 -0.508 . . . . 25.0 110.923 178.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -71.69 -38.92 70.52 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 119.144 0.884 . . . . 25.0 111.356 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -64.66 -42.52 95.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.99 -24.04 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 120.975 -0.29 . . . . 25.0 111.567 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -65.01 -38.38 90.76 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.79 -0.569 . . . . 25.0 110.005 177.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.42 -22.78 60.13 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 -177.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.2 -11.66 51.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.119 0.485 . . . . 25.0 111.053 177.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -91.61 -5.2 54.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.07 -0.513 . . . . 25.0 111.593 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 132.77 161.02 9.76 Favored Glycine 0 C--O 1.223 -0.564 0 CA-C-O 121.257 0.365 . . . . 25.0 112.417 179.098 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -135.16 26.67 3.22 Favored Glycine 0 C--O 1.219 -0.802 0 CA-C-N 115.365 -0.418 . . . . 25.0 112.181 -179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.2 p -91.16 -6.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 122.258 1.028 . . . . 25.0 112.235 -177.103 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -120.39 61.01 0.87 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.507 -0.77 . . . . 25.0 109.406 -178.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.208 -1.098 0 CA-C-O 125.153 2.406 . . . . 25.0 110.817 -178.742 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 123.848 1.785 . . . . 25.0 114.083 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 58.37 16.76 4.29 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 25.0 113.508 -178.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -53.18 -46.59 69.03 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.61 -36.67 83.16 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 121.17 -0.956 . . . . 25.0 111.823 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -63.11 -41.38 99.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 118.934 -0.555 . . . . 25.0 112.238 -175.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -63.65 -34.36 77.68 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.39 0.995 . . . . 25.0 110.645 179.606 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -65.06 -52.03 58.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 176.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 mtp -59.6 -38.44 81.26 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.235 -177.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.36 97.16 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.308 0.503 . . . . 25.0 110.077 178.139 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.268 1.032 . . . . 25.0 110.286 -177.652 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.68 -40.77 97.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.179 -0.919 . . . . 25.0 111.622 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -67.02 -31.44 71.98 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-N 115.592 -0.731 . . . . 25.0 110.146 -178.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.4 t -69.82 -51.38 34.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.143 0.497 . . . . 25.0 111.513 -178.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -8.99 57.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.5 p -120.66 11.34 11.23 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 179.094 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.56 -52.89 62.22 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 120.87 0.367 . . . . 25.0 110.617 -176.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 p -71.77 -35.75 56.31 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 O-C-N 121.943 -0.473 . . . . 25.0 110.215 -177.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -63.24 -43.58 97.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.689 0.281 . . . . 25.0 111.609 -178.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -74.75 -36.08 62.61 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.299 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -63.37 -40.54 97.53 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 119.313 -0.375 . . . . 25.0 111.565 177.134 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.06 -39.06 86.8 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 118.607 0.64 . . . . 25.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.15 -42.33 72.68 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.272 -0.571 . . . . 25.0 112.18 177.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.98 -34.73 76.7 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.814 -0.554 . . . . 25.0 110.608 178.312 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.02 -26.85 65.21 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 122.112 -0.367 . . . . 25.0 111.394 177.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.44 -40.85 66.74 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 120.266 -0.574 . . . . 25.0 109.481 176.415 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -82.19 -37.03 26.7 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 119.663 -0.815 . . . . 25.0 113.153 -174.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -132.35 67.9 79.16 Favored Pre-proline 0 C--O 1.239 0.517 0 CA-C-N 116.109 -0.496 . . . . 25.0 109.674 -178.23 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -61.92 140.52 85.43 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 115.75 -2.367 . . . . 25.0 112.056 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.36 -26.77 2.17 Favored Glycine 0 C--O 1.218 -0.869 0 N-CA-C 116.396 1.318 . . . . 25.0 116.396 178.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.53 86.41 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 118.067 0.933 . . . . 25.0 109.861 -172.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -49.52 -46.89 48.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.052 -0.976 . . . . 25.0 113.56 -178.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.56 -46.0 87.91 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.183 -0.948 . . . . 25.0 112.121 -179.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -61.03 -36.1 78.67 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 121.97 -0.456 . . . . 25.0 110.472 178.023 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.85 -45.01 91.41 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.541 -0.541 . . . . 25.0 109.541 177.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.97 -39.4 94.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.144 0.497 . . . . 25.0 111.801 -178.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.12 -42.83 95.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.299 -0.409 . . . . 25.0 109.959 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 23' ' ' ALA . 35.5 tp -64.12 -44.05 93.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.7 -0.625 . . . . 25.0 110.248 176.389 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.66 -40.74 80.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -58.0 -45.17 87.27 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.879 0.763 . . . . 25.0 111.905 178.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -62.47 -43.18 99.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.758 . . . . 25.0 109.799 178.802 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.97 -38.68 92.1 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 178.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.78 -38.28 86.26 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 121.888 -0.508 . . . . 25.0 110.587 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -66.27 -49.84 65.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.774 0.321 . . . . 25.0 110.406 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -59.69 -38.33 81.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.473 -0.33 . . . . 25.0 111.036 177.299 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.37 -49.31 78.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.807 -0.178 . . . . 25.0 110.942 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -59.59 -44.82 93.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.888 -0.325 . . . . 25.0 111.372 177.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -58.4 -50.21 74.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 117.81 0.277 . . . . 25.0 111.483 -179.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -68.15 -42.38 80.16 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.507 -0.477 . . . . 25.0 111.941 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.39 -46.19 91.22 Favored 'General case' 0 CA--C 1.499 -1.008 0 O-C-N 121.954 -0.466 . . . . 25.0 111.386 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.5 tpp -69.62 -38.33 77.17 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.736 -0.786 . . . . 25.0 112.039 -176.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.93 -38.77 92.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 120.263 -0.575 . . . . 25.0 110.234 177.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -76.3 -44.59 36.29 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 112.292 0.478 . . . . 25.0 112.292 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.8 tp -60.87 -38.59 86.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.906 0.482 . . . . 25.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.17 -42.7 81.61 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -68.18 -34.01 75.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.4 t -69.77 -46.9 73.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.384 -178.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -70.55 -29.71 66.24 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 120.087 -0.645 . . . . 25.0 110.132 178.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.4 tp -65.43 -39.46 92.12 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 116.406 -0.361 . . . . 25.0 110.135 176.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.94 78.12 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 121.299 0.571 . . . . 25.0 109.971 178.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -76.81 -37.58 55.49 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.362 -179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -62.41 -40.62 97.13 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.057 0.456 . . . . 25.0 110.088 176.409 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.77 -38.25 86.21 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 178.729 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.95 71.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.874 0.369 . . . . 25.0 111.253 176.737 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -36.9 61.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.699 0.285 . . . . 25.0 110.443 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.54 -43.71 96.31 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 178.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -77.68 5.08 9.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.631 -1.168 . . . . 25.0 112.881 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.63 5.38 28.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.542 -0.724 . . . . 25.0 111.229 179.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -126.34 121.16 31.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 176.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.313 -1.012 0 CA-C-O 126.144 2.878 . . . . 25.0 111.237 -179.583 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.189 0 CA-C-O 121.901 0.723 . . . . 25.0 113.989 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.37 127.12 31.78 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.637 -0.919 . . . . 25.0 109.044 179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 46.1 ttm -153.11 159.59 42.78 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 179.547 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.9 m -93.85 130.24 43.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 177.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -125.58 121.89 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 -179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.35 89.98 3.23 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -111.0 16.75 21.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.586 0.708 . . . . 25.0 110.504 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 46.6 m -127.14 154.01 45.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 179.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 tp -90.2 24.05 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.236 -0.653 . . . . 25.0 109.236 176.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.65 125.13 15.69 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -130.73 104.9 10.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.141 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -87.63 64.81 8.24 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.529 0.68 . . . . 25.0 110.37 -175.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.5 mtm -136.38 157.98 45.5 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.3 111.36 0.43 Allowed Glycine 0 C--O 1.214 -1.119 0 C-N-CA 119.781 -1.2 . . . . 25.0 112.331 179.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -140.12 106.07 5.19 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.372 -2.085 . . . . 25.0 105.372 177.314 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 74.5 p -116.0 17.68 15.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.527 -1.215 . . . . 25.0 108.092 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.73 102.45 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 CA-C-O 121.879 0.847 . . . . 25.0 109.09 -177.419 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 p -139.86 107.71 2.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 105.131 -2.174 . . . . 25.0 105.131 176.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 0.7 OUTLIER -95.15 -21.25 0.23 Allowed Pre-proline 0 CA--C 1.558 1.267 0 N-CA-C 120.186 3.402 . . . . 25.0 120.186 -170.573 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -79.82 19.1 1.04 Allowed 'Trans proline' 0 CA--C 1.55 1.296 0 C-N-CA 114.953 -2.898 . . . . 25.0 114.529 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 49.52 52.08 12.02 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 178.713 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.23 152.5 39.76 Favored 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 114.644 -3.104 . . . . 25.0 111.679 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.39 139.76 55.82 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 171.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -60.5 -38.75 60.69 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 -178.231 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.32 127.2 11.68 Favored 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 111.447 -5.236 . . . . 25.0 111.325 172.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.83 8.27 3.27 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.124 1.157 . . . . 25.0 114.124 -172.648 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 82.8 p -134.95 36.54 3.06 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.132 -0.98 . . . . 25.0 112.346 -176.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -138.37 89.44 13.98 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 120.839 0.352 . . . . 25.0 110.061 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.17 151.34 34.29 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 115.68 -2.413 . . . . 25.0 112.665 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 19.5 p -71.82 104.48 3.45 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 179.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 63.5 p -144.79 163.31 34.44 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -94.68 178.75 36.74 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.284 -0.726 . . . . 25.0 111.284 -179.318 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.49 160.49 49.04 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-N 118.572 1.186 . . . . 25.0 111.679 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.86 41.19 0.88 Allowed 'Trans proline' 0 CA--C 1.551 1.371 0 C-N-CA 121.025 1.15 . . . . 25.0 114.258 -179.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 85.61 177.7 50.39 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 110.726 -0.95 . . . . 25.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -129.7 19.02 5.66 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 120.964 0.411 . . . . 25.0 109.996 -179.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -92.26 132.76 36.43 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.248 0.462 . . . . 25.0 112.248 -173.289 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.56 149.08 8.19 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.962 -0.637 . . . . 25.0 112.105 173.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 166.09 156.49 9.45 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 117.627 0.714 . . . . 25.0 111.816 -179.558 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 25.3 m -137.86 80.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -132.09 60.19 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.467 -0.788 . . . . 25.0 112.396 -174.309 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.72 158.22 43.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.352 0.596 . . . . 25.0 112.087 -179.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 70.5 m -152.71 151.3 30.38 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 105.186 -2.153 . . . . 25.0 105.186 174.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 70.3 t -132.93 121.11 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 -179.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.5 134.33 27.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 -177.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.91 122.78 3.9 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 103.401 -2.814 . . . . 25.0 103.401 175.677 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -126.98 9.41 6.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.43 -1.259 . . . . 25.0 112.17 -173.344 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -85.74 37.8 3.06 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.869 -0.605 . . . . 25.0 113.537 -176.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.06 140.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.387 0.613 . . . . 25.0 110.3 -175.044 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.41 -49.86 0.52 Allowed Glycine 0 N--CA 1.462 0.42 0 N-CA-C 111.316 -0.714 . . . . 25.0 111.316 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 56.26 -163.53 0.16 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.614 0.765 . . . . 25.0 112.543 177.133 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 18.3 tp -155.76 139.64 16.25 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -178.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 57.7 m 52.77 71.05 0.51 Allowed 'General case' 0 C--O 1.209 -1.041 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 175.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.34 26.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 173.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 27.7 pt -143.95 161.2 15.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 124.349 1.06 . . . . 25.0 108.757 178.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.11 109.41 20.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 105.637 -1.986 . . . . 25.0 105.637 170.386 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -73.12 -19.16 23.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 115.665 -2.423 . . . . 25.0 113.64 -173.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -58.45 7.71 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.213 0.53 . . . . 25.0 111.202 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -34.14 64.85 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 O-C-N 122.101 -0.374 . . . . 25.0 110.056 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.78 88.24 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.394 178.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -72.46 -40.19 67.18 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.859 0.689 . . . . 25.0 112.859 178.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -60.07 -41.38 92.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.457 0.646 . . . . 25.0 109.626 176.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.94 97.88 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.815 -0.629 . . . . 25.0 111.827 178.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 4.0 p -70.28 -33.32 71.44 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 118.887 -1.125 . . . . 25.0 111.7 -177.221 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -62.58 -44.99 94.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 120.876 -0.33 . . . . 25.0 110.188 178.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.87 -39.1 90.72 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.679 0.752 . . . . 25.0 110.941 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.64 -41.9 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 121.426 -0.796 . . . . 25.0 110.566 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -37.66 87.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.718 177.151 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.86 -41.73 78.01 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.304 -0.872 . . . . 25.0 111.391 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -62.22 -47.54 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.7 -29.06 45.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.85 -177.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -67.55 -38.67 84.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 178.163 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.0 mt -76.0 -21.7 56.61 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 177.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.04 -14.08 59.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.585 0.707 . . . . 25.0 111.537 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -92.44 0.57 57.45 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.433 -0.803 . . . . 25.0 111.069 178.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -85.72 -169.23 45.72 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.108 -0.497 . . . . 25.0 112.958 -178.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 153.33 -57.74 0.42 Allowed Glycine 0 C--O 1.217 -0.926 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -177.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.05 2.08 7.8 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-O 121.773 0.797 . . . . 25.0 111.986 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -125.62 99.45 6.0 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.081 -1.081 . . . . 25.0 108.081 177.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.987 2.327 . . . . 25.0 111.976 179.97 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mmm . . . . . 0 N--CA 1.512 2.664 0 CA-C-O 123.478 1.609 . . . . 25.0 114.111 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -65.86 -25.08 67.03 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.236 -1.54 . . . . 25.0 109.412 175.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.47 -33.62 72.85 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.69 -0.686 . . . . 25.0 110.201 178.359 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -82.3 -36.17 27.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.018 -0.427 . . . . 25.0 112.052 175.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -58.17 -43.67 87.56 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 -175.218 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -63.03 -33.07 74.64 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.788 -0.365 . . . . 25.0 111.695 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.86 -50.53 64.29 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.042 0 N-CA-C 107.629 -1.248 . . . . 25.0 107.629 -178.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -57.97 -38.72 76.58 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.093 -176.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.74 98.1 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.405 0.52 . . . . 25.0 112.405 177.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.53 78.64 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.376 0.607 . . . . 25.0 109.993 -178.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -43.5 97.23 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.618 0.723 . . . . 25.0 109.464 178.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.56 -30.59 71.36 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.694 -0.685 . . . . 25.0 109.969 -177.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.9 m -65.4 -48.86 71.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.49 0.494 . . . . 25.0 110.723 179.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -74.45 -25.83 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.215 -0.928 . . . . 25.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.8 p -101.42 7.67 42.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.533 -0.729 . . . . 25.0 112.127 -177.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.66 -56.47 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.663 -0.699 . . . . 25.0 111.467 -177.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.38 -31.5 47.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 122.161 -0.337 . . . . 25.0 111.303 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.23 -40.82 90.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.435 0.636 . . . . 25.0 111.431 -176.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -78.95 -37.08 40.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.041 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -62.16 -46.0 90.91 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 179.206 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -66.46 -37.29 84.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.52 0.2 . . . . 25.0 110.639 -179.176 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.22 -40.33 78.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 119.567 -0.853 . . . . 25.0 111.391 178.218 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.73 -35.64 81.25 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.821 -0.437 . . . . 25.0 109.821 178.197 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.37 -33.86 73.68 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 120.647 0.261 . . . . 25.0 110.987 176.22 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.82 -30.19 68.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.4 . . . . 25.0 111.439 179.136 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -91.72 -39.07 12.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.148 0.796 . . . . 25.0 113.148 178.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -132.9 67.83 78.2 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-O 121.236 0.541 . . . . 25.0 110.476 -176.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -62.18 127.7 21.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 116.756 -1.696 . . . . 25.0 112.62 -176.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.24 -15.41 22.99 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 115.223 0.849 . . . . 25.0 115.223 179.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.71 76.25 6.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.569 1.185 . . . . 25.0 109.929 -175.255 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -52.06 -37.36 53.5 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -170.576 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.51 -41.86 79.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.391 -0.818 . . . . 25.0 110.218 -178.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -68.06 -33.88 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.975 0.417 . . . . 25.0 110.102 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -62.76 -44.64 95.66 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.026 -0.534 . . . . 25.0 109.672 176.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.11 -43.46 91.95 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.752 -0.592 . . . . 25.0 110.516 -179.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.19 -44.41 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.207 0.527 . . . . 25.0 110.644 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 23' ' ' ALA . 51.3 tp -66.66 -41.46 88.14 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.437 -0.505 . . . . 25.0 111.091 178.706 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.57 -42.3 93.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 178.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -57.48 -44.31 84.78 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.666 0.666 . . . . 25.0 112.381 -179.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.91 -40.86 91.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.614 0.721 . . . . 25.0 110.628 178.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mp -64.71 -38.55 91.39 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.154 -179.396 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.48 -40.39 95.59 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.966 0.412 . . . . 25.0 110.495 177.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -69.21 -51.62 35.97 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.006 -0.543 . . . . 25.0 111.862 -179.161 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.22 -35.12 80.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.7 -179.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -60.66 -47.19 87.38 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.811 -0.556 . . . . 25.0 110.267 176.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -59.3 -43.92 92.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.862 -0.735 . . . . 25.0 110.847 177.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.27 -45.58 93.9 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.453 -0.499 . . . . 25.0 111.213 -178.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -69.13 -43.12 75.03 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 117.962 0.346 . . . . 25.0 110.067 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.84 -49.28 77.21 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.766 -0.584 . . . . 25.0 112.17 178.857 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -66.85 -36.72 82.99 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.146 -0.622 . . . . 25.0 111.341 -175.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.84 -40.7 79.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.574 -0.704 . . . . 25.0 109.912 177.207 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -67.66 -43.82 79.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.108 -0.33 . . . . 25.0 110.108 -179.102 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.94 -40.84 96.9 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.212 0.53 . . . . 25.0 110.125 177.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -60.65 -39.59 88.91 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.424 -0.807 . . . . 25.0 109.373 179.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -70.15 -27.73 64.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.616 0.599 . . . . 25.0 112.616 177.857 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -69.39 -48.35 67.74 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 118.957 0.798 . . . . 25.0 109.626 178.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -71.53 -32.35 68.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.087 -0.645 . . . . 25.0 109.842 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.67 -39.84 95.34 Favored 'General case' 0 CA--C 1.504 -0.804 0 O-C-N 121.748 -0.595 . . . . 25.0 110.736 176.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.69 90.48 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 121.048 0.451 . . . . 25.0 109.851 -176.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -69.92 -35.47 74.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.695 -0.684 . . . . 25.0 111.491 177.218 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.7 -37.06 79.24 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 121.795 -0.565 . . . . 25.0 110.894 176.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -37.49 85.46 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.528 -0.733 . . . . 25.0 110.044 176.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.53 76.99 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.31 70.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.632 . . . . 25.0 110.586 176.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.13 -58.25 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.901 -0.591 . . . . 25.0 111.954 -177.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 42.05 29.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 116.363 1.986 . . . . 25.0 116.363 -174.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -144.26 29.51 1.3 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 -175.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.91 80.8 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.824 0.821 . . . . 25.0 108.942 174.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.5 tm0? . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 123.306 1.527 . . . . 25.0 112.684 -176.458 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.633 0 CA-C-O 123.986 1.881 . . . . 25.0 111.846 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.8 -5.87 44.18 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 111.438 -2.381 . . . . 25.0 109.737 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 8.9 ttt 61.74 30.13 18.29 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 114.579 -1.191 . . . . 25.0 112.457 -176.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.64 110.18 30.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 175.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -149.69 166.47 29.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 -179.192 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.94 151.46 38.68 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 106.763 -1.569 . . . . 25.0 106.763 177.072 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.43 -14.54 14.64 Favored 'General case' 0 C--O 1.214 -0.763 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 -178.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -157.01 47.8 0.43 Allowed 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 174.099 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 91.6 mt 62.35 127.12 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.905 1.817 . . . . 25.0 115.905 -176.029 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.93 48.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.401 -0.812 . . . . 25.0 110.965 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -83.04 56.5 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.501 0.72 . . . . 25.0 112.078 -178.177 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.73 -168.11 0.19 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.94 -1.027 . . . . 25.0 111.543 -178.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 17.8 ptp -162.59 169.33 20.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 -177.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.52 18.86 22.24 Favored Glycine 0 C--O 1.216 -1.016 0 C-N-CA 121.419 -0.419 . . . . 25.0 113.576 176.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.02 -28.47 69.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -178.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 63.2 p 49.43 33.63 5.76 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 179.214 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.08 124.84 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.646 0.736 . . . . 25.0 112.137 178.644 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.18 128.6 35.66 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 CA-C-N 114.685 -1.143 . . . . 25.0 108.494 175.684 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 97.71 -63.55 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.476 0 C-N-CA 127.486 2.314 . . . . 25.0 117.246 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.43 -65.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 113.212 -4.059 . . . . 25.0 118.436 -170.598 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -161.94 98.44 1.19 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.247 0.462 . . . . 25.0 112.247 -173.077 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.42 17.99 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.54 1.493 . . . . 25.0 115.904 176.535 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.15 168.69 26.18 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -175.431 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 21.5 tttm 69.15 19.26 0.0 OUTLIER Pre-proline 0 CA--C 1.578 2.044 0 N-CA-C 119.898 3.295 . . . . 25.0 119.898 179.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.11 157.99 56.81 Favored 'Trans proline' 0 C--N 1.361 1.212 1 C-N-CA 112.237 -4.708 . . . . 25.0 111.743 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 38.9 p -116.38 107.8 15.26 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -148.17 72.93 1.23 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.584 -0.734 . . . . 25.0 111.303 -176.22 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.34 124.87 90.83 Favored Pre-proline 0 N--CA 1.475 0.806 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -77.98 153.34 28.88 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 117.255 -1.364 . . . . 25.0 113.09 -176.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.56 139.23 49.34 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 177.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 49.8 m -96.94 147.8 23.6 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 116.075 -0.512 . . . . 25.0 110.395 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.86 177.65 29.23 Favored Glycine 0 CA--C 1.509 -0.297 0 N-CA-C 110.227 -1.149 . . . . 25.0 110.227 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -69.48 147.17 64.04 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 117.065 -1.49 . . . . 25.0 111.684 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.31 123.69 8.91 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 117.365 -1.29 . . . . 25.0 114.839 -176.065 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -81.3 -25.1 55.65 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.339 -0.934 . . . . 25.0 111.245 178.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 57.69 -163.87 0.18 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.036 0.934 . . . . 25.0 111.324 178.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -155.01 156.04 35.24 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 -176.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -174.12 -169.49 36.34 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 107.073 -2.411 . . . . 25.0 107.073 179.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -169.41 167.35 40.42 Favored Glycine 0 CA--C 1.505 -0.551 0 C-N-CA 119.953 -1.118 . . . . 25.0 112.355 176.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 40.4 m -141.48 99.92 3.67 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.691 0.396 . . . . 25.0 110.122 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.06 70.68 1.44 Allowed 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 84.6 mt -127.92 144.11 51.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.471 -1.241 . . . . 25.0 107.924 -175.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 25.6 t -146.87 152.57 38.93 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 103.963 -2.606 . . . . 25.0 103.963 178.333 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -79.45 132.11 32.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -179.104 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.4 124.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 25.0 109.837 178.524 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 12.7 t -121.69 -6.73 9.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.433 0.635 . . . . 25.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.91 27.78 9.13 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.279 -177.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -89.39 41.02 3.02 Favored Glycine 0 N--CA 1.463 0.447 0 C-N-CA 121.292 -0.48 . . . . 25.0 112.244 -179.624 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.49 137.76 56.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 -175.116 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.41 60.11 1.4 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 121.073 -0.584 . . . . 25.0 113.891 177.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.21 149.54 47.69 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.321 -0.517 . . . . 25.0 111.378 178.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 60.8 tp -136.87 132.9 35.2 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 179.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.2 p -84.83 63.83 8.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.319 0.648 . . . . 25.0 110.044 177.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.76 10.49 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 122.133 0.968 . . . . 25.0 112.112 -178.251 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.5 pt -129.7 169.4 20.88 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 C-N-CA 123.767 0.827 . . . . 25.0 111.045 -175.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -92.12 98.8 2.18 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 107.189 -1.411 . . . . 25.0 107.189 169.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -70.82 -19.53 30.95 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 117.013 -1.525 . . . . 25.0 114.103 -173.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.28 -36.89 66.4 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.015 0.912 . . . . 25.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.62 -37.36 63.1 Favored 'Isoleucine or valine' 0 C--O 1.246 0.899 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 177.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -68.58 -34.19 75.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.505 -178.517 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.37 -44.02 97.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.449 0.642 . . . . 25.0 110.133 177.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -65.19 -39.07 92.37 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.018 -1.051 . . . . 25.0 110.238 179.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.57 93.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 15.8 p -69.85 -33.86 72.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.334 -0.946 . . . . 25.0 110.699 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -64.8 -39.67 93.97 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 110.17 -0.307 . . . . 25.0 110.17 178.344 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.67 -44.44 90.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.61 0.243 . . . . 25.0 111.281 177.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.05 -40.96 90.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.61 -0.681 . . . . 25.0 110.705 179.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.7 -36.54 84.6 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 119.618 -0.229 . . . . 25.0 110.405 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.27 -49.13 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.598 0.713 . . . . 25.0 109.67 176.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.19 -44.7 96.01 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.975 -0.453 . . . . 25.0 111.951 -176.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.7 p -68.33 -32.09 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.074 0.852 . . . . 25.0 110.045 -177.333 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -67.57 -39.67 84.88 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.352 -0.843 . . . . 25.0 110.329 175.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.92 -38.38 61.82 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -177.105 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.97 -21.6 64.95 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.65 0.738 . . . . 25.0 110.909 179.489 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -70.78 -31.0 67.64 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 177.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.97 14.63 53.59 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.26 0.864 . . . . 25.0 115.26 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.11 17.1 41.64 Favored Glycine 0 C--O 1.216 -1.022 0 N-CA-C 115.346 0.898 . . . . 25.0 115.346 -173.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.17 -7.87 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.994 0.902 . . . . 25.0 112.188 -176.562 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.46 105.78 13.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.038 0.923 . . . . 25.0 109.471 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.546 0.802 0 CA-C-O 124.533 2.111 . . . . 25.0 111.638 178.679 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.506 2.345 0 CA-C-O 125.75 2.691 . . . . 25.0 116.444 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.26 -11.22 41.54 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 119.233 -2.167 . . . . 25.0 112.557 -178.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -59.24 -22.42 61.07 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 115.531 1.678 . . . . 25.0 115.531 -171.547 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.47 -31.97 65.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.442 -0.786 . . . . 25.0 111.583 177.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.48 -47.81 84.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.907 0.336 . . . . 25.0 111.907 -175.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.69 -33.08 74.83 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.628 -178.326 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 mm -67.57 -51.6 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.952 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.086 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtp -60.87 -34.33 74.45 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.252 -0.579 . . . . 25.0 111.355 -176.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.93 97.41 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.566 -0.453 . . . . 25.0 110.707 175.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.52 -36.78 71.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.992 0.901 . . . . 25.0 110.094 -177.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -36.18 82.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.905 178.241 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.53 -37.59 87.89 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.4 m -60.71 -51.45 69.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 120.983 0.42 . . . . 25.0 111.39 -176.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -18.16 58.78 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.962 0.41 . . . . 25.0 112.011 -173.099 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 p -106.12 5.17 29.86 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.769 -0.582 . . . . 25.0 112.284 -179.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.9 -58.97 5.33 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.208 0.527 . . . . 25.0 110.711 -175.334 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 p -71.63 -30.94 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 O-C-N 121.693 -0.629 . . . . 25.0 111.168 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.06 -48.8 69.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.52 0.676 . . . . 25.0 112.237 -177.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -71.34 -35.18 71.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -179.229 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.16 -41.6 99.27 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.649 -0.657 . . . . 25.0 112.377 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -67.47 -39.61 85.28 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-O 121.231 0.538 . . . . 25.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -69.01 -40.38 78.71 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.015 -1.074 . . . . 25.0 111.314 178.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.2 -34.37 76.33 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.161 -0.962 . . . . 25.0 110.599 177.059 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.04 -30.55 70.66 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 111.606 0.225 . . . . 25.0 111.606 177.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -72.72 -36.47 67.8 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.299 0.571 . . . . 25.0 110.796 177.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -85.41 -36.47 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.777 -0.769 . . . . 25.0 112.817 -174.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -135.6 68.88 66.88 Favored Pre-proline 0 C--O 1.239 0.53 0 CA-C-N 115.416 -0.811 . . . . 25.0 110.636 -178.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.42 141.49 81.26 Favored 'Trans proline' 0 CA--C 1.519 -0.252 0 C-N-CA 115.801 -2.333 . . . . 25.0 112.137 -176.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.59 -25.64 0.92 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.764 1.466 . . . . 25.0 116.764 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -89.26 84.18 6.49 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 118.02 0.91 . . . . 25.0 108.875 -174.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -59.7 -30.47 68.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.415 -174.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -66.37 -45.96 78.31 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 121.911 -0.493 . . . . 25.0 109.951 179.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -69.87 -34.39 73.52 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 122.854 0.462 . . . . 25.0 110.649 178.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.72 -42.85 99.86 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 177.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -65.41 -40.2 93.08 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 120.983 0.42 . . . . 25.0 111.424 178.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.54 -42.23 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.706 -0.621 . . . . 25.0 110.564 177.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -68.7 -40.3 80.1 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.27 -0.894 . . . . 25.0 111.751 175.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.7 -36.59 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -58.05 -45.65 86.67 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.156 0.434 . . . . 25.0 112.038 176.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.19 -45.7 90.5 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 177.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.16 -41.07 99.19 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.074 -175.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.53 -38.1 80.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 118.141 0.428 . . . . 25.0 111.103 -178.036 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.62 -49.79 56.44 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.123 -0.361 . . . . 25.0 111.357 177.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.58 -38.25 89.39 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.14 -179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.59 -50.42 73.94 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 176.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -56.84 -46.2 81.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.29 0.496 . . . . 25.0 112.126 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -61.76 -42.31 98.82 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.68 -0.638 . . . . 25.0 111.385 -179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -69.03 -43.54 74.54 Favored 'General case' 0 C--O 1.246 0.907 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 178.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.05 -46.9 87.07 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.374 -179.482 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 tpp -67.43 -37.55 83.18 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 120.768 -0.373 . . . . 25.0 111.912 -178.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -62.9 -44.83 95.04 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.69 0.281 . . . . 25.0 110.637 177.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -73.42 -42.29 62.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.954 -0.387 . . . . 25.0 109.954 -176.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.1 tp -60.64 -39.22 87.5 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.152 0.501 . . . . 25.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -58.53 -39.45 80.2 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.24 -33.77 70.15 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.733 -0.387 . . . . 25.0 111.784 178.05 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -71.95 -43.53 67.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.817 0 CA-C-N 118.852 0.751 . . . . 25.0 111.297 -179.2 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -68.63 -31.31 70.38 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 119.65 -0.82 . . . . 25.0 109.314 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.52 -40.74 85.09 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 116.031 -0.531 . . . . 25.0 110.025 176.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.21 92.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 119.058 0.844 . . . . 25.0 110.787 179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.75 -36.02 79.78 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.739 -0.601 . . . . 25.0 110.202 176.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -67.06 -38.38 85.69 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 122.035 -0.416 . . . . 25.0 110.585 179.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.72 -35.37 78.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.112 -0.368 . . . . 25.0 110.486 176.645 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.47 78.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 123.019 0.528 . . . . 25.0 109.896 177.315 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.45 -23.65 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.583 178.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -89.39 -63.09 1.34 Allowed 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.752 0.649 . . . . 25.0 112.752 -178.652 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 43.74 36.06 1.2 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.309 1.044 . . . . 25.0 113.767 -176.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -146.15 84.39 1.64 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.014 -0.539 . . . . 25.0 110.976 -176.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -84.14 73.69 10.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.056 0.931 . . . . 25.0 110.047 -179.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 . . . . . 0 C--O 1.207 -1.174 0 CA-C-O 124.483 2.087 . . . . 25.0 110.693 -179.984 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 124.52 2.178 . . . . 25.0 112.973 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.89 -28.73 68.55 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 113.808 -1.196 . . . . 25.0 112.241 -176.523 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 91.2 mtp 47.69 46.62 18.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 176.254 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.81 126.45 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 109.552 -0.536 . . . . 25.0 109.552 -178.118 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -123.68 147.85 47.06 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 177.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.31 145.17 40.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 103.432 -2.803 . . . . 25.0 103.432 171.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -123.71 22.28 9.05 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.448 0.906 . . . . 25.0 113.448 -171.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 51.0 m -83.23 155.99 23.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 109.902 -178.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 66.6 tp -72.59 122.68 21.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 178.395 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.04 126.24 17.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.2 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.48 33.77 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.43 132.97 11.12 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 66.4 mtm -115.45 11.53 16.01 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.463 0.477 . . . . 25.0 111.31 -177.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.83 25.96 43.61 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-O 122.157 0.865 . . . . 25.0 112.68 -178.568 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.55 -25.21 67.93 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.862 0.865 . . . . 25.0 113.121 -176.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p 45.21 41.77 6.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.922 1.452 . . . . 25.0 114.922 177.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.81 123.6 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.534 -0.757 . . . . 25.0 110.814 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -148.23 129.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 105.408 -2.071 . . . . 25.0 105.408 175.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.51 -51.27 3.26 Favored Pre-proline 0 N--CA 1.475 0.776 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.73 -176.432 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.3 166.05 28.29 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 113.952 -3.565 . . . . 25.0 111.258 174.608 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.92 100.91 16.07 Favored Pre-proline 0 C--N 1.316 -0.88 0 O-C-N 122.098 -0.376 . . . . 25.0 111.03 176.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -67.99 144.8 65.47 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 116.119 -2.121 . . . . 25.0 110.47 176.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.7 161.6 41.48 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 115.343 1.608 . . . . 25.0 115.343 -177.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 97.89 -52.16 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 120.045 3.35 . . . . 25.0 120.045 170.365 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.19 -47.95 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 1 C-N-CA 112.017 -4.856 . . . . 25.0 116.853 -175.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 14.4 p -145.33 157.09 44.12 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 -178.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 72.2 m -158.44 68.79 0.48 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.261 0.624 . . . . 25.0 111.476 177.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -133.2 155.84 80.52 Favored Pre-proline 0 N--CA 1.475 0.78 0 O-C-N 122.203 -0.311 . . . . 25.0 110.377 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 167.0 26.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 118.557 -0.496 . . . . 25.0 112.633 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -120.72 177.05 5.23 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.388 -0.967 . . . . 25.0 108.388 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 9.5 t -120.86 177.65 5.02 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 120.973 0.416 . . . . 25.0 109.897 -178.483 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.73 -172.57 23.4 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.433 -1.067 . . . . 25.0 110.433 -179.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.97 155.97 66.82 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 CA-C-N 119.645 1.722 . . . . 25.0 112.165 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.71 8.95 3.7 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 121.509 1.473 . . . . 25.0 115.859 -177.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 100.54 -169.57 21.49 Favored Glycine 0 C--O 1.22 -0.758 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -92.65 142.91 26.85 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.222 -0.658 . . . . 25.0 109.222 -179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.88 131.98 52.42 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.48 179.71 48.44 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 179.461 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 163.39 165.67 20.93 Favored Glycine 0 CA--C 1.5 -0.853 0 CA-C-N 118.276 1.038 . . . . 25.0 112.002 179.394 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 20.4 m -108.39 46.8 0.94 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.302 0.573 . . . . 25.0 111.247 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.5 43.37 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.974 -1.491 . . . . 25.0 106.974 -178.735 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.31 134.12 41.12 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.758 1.021 . . . . 25.0 113.758 -172.111 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 78.9 p -140.22 95.55 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.668 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.93 136.29 23.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.282 0.563 . . . . 25.0 109.882 -171.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mp -70.84 133.26 32.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.879 -0.601 . . . . 25.0 109.425 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 8.4 t -121.89 -0.25 9.6 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.391 0.615 . . . . 25.0 110.098 179.298 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 52.27 27.06 4.41 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 114.324 -1.307 . . . . 25.0 113.597 176.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.7 67.22 0.4 Allowed Glycine 0 CA--C 1.504 -0.602 0 N-CA-C 107.118 -2.393 . . . . 25.0 107.118 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.08 112.28 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 122.131 -0.629 . . . . 25.0 111.657 -177.418 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.72 80.29 0.05 OUTLIER Glycine 0 C--N 1.314 -0.652 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 179.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.95 -158.42 0.33 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.219 0.452 . . . . 25.0 112.219 -176.556 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 62.0 tp -142.88 -41.36 0.32 Allowed 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.937 0.347 . . . . 25.0 111.937 -179.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 6.9 m 49.09 72.63 0.28 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 122.124 0.964 . . . . 25.0 113.406 178.033 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . 0.432 ' H ' HG22 ' B' ' 154' ' ' VAL . 1.7 m -74.52 41.88 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.939 170.081 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.1 pt -141.93 166.12 17.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 124.734 1.213 . . . . 25.0 109.285 -178.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -89.21 109.85 34.14 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 167.043 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.15 -19.35 20.18 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 115.546 -2.503 . . . . 25.0 115.277 -175.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.44 -40.1 64.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.101 0.953 . . . . 25.0 109.578 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.33 -40.83 90.43 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 176.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.55 93.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.26 -43.55 97.67 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.679 -0.638 . . . . 25.0 110.195 179.622 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.51 -40.09 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.952 -0.699 . . . . 25.0 110.265 178.194 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.69 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -178.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.02 -30.67 65.45 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.029 -0.668 . . . . 25.0 111.265 -178.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -62.18 -43.72 98.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.935 0.398 . . . . 25.0 110.923 176.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . 0.493 ' OE2' ' HE3' ' B' ' 170' ' ' LYS . 23.7 tp10 -61.17 -43.51 98.77 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 179.24 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.36 -41.43 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 122.113 -0.367 . . . . 25.0 110.969 178.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.96 -33.29 74.37 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.096 -0.377 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.3 -46.59 66.79 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.851 0.834 . . . . 25.0 110.082 176.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . 0.493 ' HE3' ' OE2' ' B' ' 166' ' ' GLU . 93.7 mttt -65.7 -43.8 88.07 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.239 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.17 -29.11 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 120.23 -0.588 . . . . 25.0 109.574 -175.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.56 -39.97 88.77 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 121.74 -0.6 . . . . 25.0 110.376 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 4.4 mp -75.7 -24.59 56.25 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.796 1.036 . . . . 25.0 113.796 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.51 -15.18 57.14 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 121.347 0.594 . . . . 25.0 111.376 175.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -91.88 -0.01 57.49 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 123.381 0.672 . . . . 25.0 112.482 -177.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -71.74 167.05 52.79 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 111.965 -0.454 . . . . 25.0 111.965 178.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 135.08 -59.96 0.65 Allowed Glycine 0 C--O 1.226 -0.345 0 CA-C-O 119.514 -0.603 . . . . 25.0 112.515 -178.317 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 27.6 m -125.38 21.37 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 117.885 0.842 . . . . 25.0 112.342 -177.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -76.64 86.38 3.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.223 178.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 125.397 2.523 . . . . 25.0 112.767 178.757 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 123.195 1.474 . . . . 25.0 112.742 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -68.05 -19.74 64.91 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.016 -1.052 . . . . 25.0 108.935 173.663 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.62 -33.18 67.99 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 114.689 -1.142 . . . . 25.0 111.472 177.188 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.54 -36.87 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.659 -0.651 . . . . 25.0 110.987 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -60.34 -42.38 95.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.605 -0.27 . . . . 25.0 111.428 -175.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.14 -32.19 73.66 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.839 -0.344 . . . . 25.0 111.246 179.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -67.5 -50.48 61.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.716 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.2 mtp -61.86 -36.86 82.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.926 -175.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.71 98.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 118.046 0.384 . . . . 25.0 110.239 176.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.6 72.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.772 0.796 . . . . 25.0 110.529 -178.391 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.15 -39.14 86.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.18 178.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.71 -37.17 84.15 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -61.97 -49.5 75.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -8.15 55.54 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.583 0.957 . . . . 25.0 113.583 -176.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -124.64 10.1 8.39 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -178.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.06 -49.8 74.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.482 . . . . 25.0 111.236 -176.442 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.8 p -73.29 -33.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -177.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -65.9 -44.87 83.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.511 0.672 . . . . 25.0 111.376 -178.225 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -68.05 -36.93 80.71 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 178.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.32 -44.01 89.16 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.81 0.3 . . . . 25.0 111.81 179.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.96 -43.64 98.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -178.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -67.48 -40.62 85.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.073 0.463 . . . . 25.0 111.669 178.678 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.38 -36.07 82.94 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.774 -0.579 . . . . 25.0 110.796 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.1 75.65 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 120.959 0.409 . . . . 25.0 110.199 177.049 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.01 -33.32 71.86 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.911 0.386 . . . . 25.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -87.99 -36.27 17.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -133.32 67.03 76.11 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 110.287 -0.264 . . . . 25.0 110.287 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.57 138.27 58.6 Favored 'Trans proline' 0 CA--C 1.519 -0.229 0 C-N-CA 116.464 -1.891 . . . . 25.0 112.255 -176.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.19 -21.94 3.94 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 115.588 0.995 . . . . 25.0 115.588 -179.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -92.94 84.08 4.85 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.384 1.092 . . . . 25.0 109.178 -174.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -51.33 -47.67 62.62 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -62.22 -45.15 94.62 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.734 -0.604 . . . . 25.0 111.63 -177.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.8 mm100 -64.28 -35.8 82.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.127 0.489 . . . . 25.0 111.075 178.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.14 -43.77 98.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 25.0 109.322 177.058 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.87 -42.52 99.79 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 120.771 0.32 . . . . 25.0 111.768 178.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 33' ' ' GLN . 59.2 mt -60.35 -41.61 87.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.789 -0.449 . . . . 25.0 109.789 -178.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.0 tp -66.72 -44.63 81.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.376 -0.203 . . . . 25.0 111.191 176.539 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.1 -38.85 78.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 110.343 -0.244 . . . . 25.0 110.343 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -54.29 -46.66 72.8 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.366 0.603 . . . . 25.0 111.011 178.432 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.07 -39.91 82.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.251 0.548 . . . . 25.0 111.923 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.91 -39.92 93.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.17 -0.468 . . . . 25.0 110.793 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -66.5 -40.34 89.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.626 0.251 . . . . 25.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.62 -50.8 65.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.407 . . . . 25.0 110.676 177.563 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.23 -39.8 83.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.125 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -59.28 -45.64 90.69 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.157 -0.312 . . . . 25.0 110.157 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.9 -46.02 89.78 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.732 -0.387 . . . . 25.0 111.516 178.424 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.59 -50.2 74.46 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.813 -0.355 . . . . 25.0 111.22 -177.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -65.15 -40.34 94.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.756 0.253 . . . . 25.0 110.757 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -60.64 -48.24 82.66 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.993 -0.283 . . . . 25.0 111.033 179.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 tpp -66.59 -40.99 89.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 -175.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.6 -41.79 95.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.482 -0.487 . . . . 25.0 109.915 178.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -70.82 -42.57 70.06 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.123 -0.361 . . . . 25.0 111.012 -178.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.59 -39.94 85.79 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.363 0.601 . . . . 25.0 110.779 178.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.72 -38.68 85.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.947 -0.569 . . . . 25.0 109.841 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -67.54 -33.75 75.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.171 -0.33 . . . . 25.0 111.386 177.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.78 -47.15 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.798 -0.564 . . . . 25.0 111.629 -178.463 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -67.25 -32.56 73.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.1 tp -66.67 -39.86 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.51 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.0 92.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.981 0.42 . . . . 25.0 110.717 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -68.72 -39.33 80.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.509 . . . . 25.0 109.989 177.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -64.15 -40.76 96.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.149 -0.345 . . . . 25.0 110.521 177.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -64.93 -34.35 78.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.028 -0.42 . . . . 25.0 111.704 178.044 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.8 68.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.702 0.287 . . . . 25.0 110.935 178.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.11 -32.47 59.2 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 176.232 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.46 -51.82 12.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 44.05 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.329 1.061 . . . . 25.0 112.734 -175.319 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -119.14 15.16 13.19 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 115.507 -0.77 . . . . 25.0 111.604 -177.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 53.19 47.73 23.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 123.505 1.621 . . . . 25.0 108.913 -176.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.854 0 CA-C-O 125.417 2.532 . . . . 25.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 122.667 1.148 . . . . 25.0 115.254 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -159.27 178.31 10.11 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -179.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 62.1 mtt -133.77 148.64 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 176.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.93 118.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 104.913 -2.254 . . . . 25.0 104.913 173.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -79.68 156.69 27.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.474 0.654 . . . . 25.0 111.457 -176.287 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.22 161.7 29.12 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 176.733 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -137.95 147.64 44.5 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.927 -0.768 . . . . 25.0 108.927 177.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 42.4 p 60.53 168.59 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.871 1.357 . . . . 25.0 113.073 -175.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 81.8 mt -141.63 168.86 18.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.722 -1.585 . . . . 25.0 106.722 -178.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.0 48.02 0.57 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.7 117.34 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.004 -1.85 . . . . 25.0 106.004 177.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.12 164.41 35.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 -177.04 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 4.3 ttp 62.44 -179.0 0.13 Allowed 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.335 1.022 . . . . 25.0 111.711 179.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 92.84 -27.91 10.25 Favored Glycine 0 C--O 1.219 -0.817 0 O-C-N 122.109 -0.369 . . . . 25.0 112.626 -176.34 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.78 -29.88 55.32 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.37 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 28.94 5.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.067 -176.637 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 20.9 t -121.21 132.87 69.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 50.4 t -114.65 118.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -171.107 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.319 0.9 OUTLIER 77.63 -11.95 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.275 1 N-CA-C 125.09 5.219 . . . . 25.0 125.09 171.717 . . . . . . . . 4 3 . 1 . 034 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -71.36 140.52 37.0 Favored 'Trans proline' 0 C--N 1.356 0.966 1 C-N-CA 110.679 -5.747 . . . . 25.0 112.276 176.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.78 124.47 26.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 111.831 0.308 . . . . 25.0 111.831 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.91 155.47 34.25 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 116.437 -1.909 . . . . 25.0 111.627 175.76 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.47 51.56 0.35 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 179.594 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 15.5 tptp 60.57 25.61 0.04 OUTLIER Pre-proline 0 CA--C 1.57 1.72 0 N-CA-C 121.677 3.955 . . . . 25.0 121.677 176.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -84.62 25.68 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 116.171 -2.086 . . . . 25.0 112.267 167.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.55 136.5 58.04 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -169.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 14.7 m 64.35 54.29 1.57 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 118.239 2.681 . . . . 25.0 118.239 171.131 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -87.34 110.27 32.44 Favored Pre-proline 0 CA--C 1.545 0.784 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 169.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.35 148.29 18.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.26 -2.026 . . . . 25.0 113.348 -177.417 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.7 t -74.47 -15.31 60.9 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.779 -0.575 . . . . 25.0 111.235 177.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 10.6 m 54.18 -159.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -178.22 169.09 40.7 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.475 -0.869 . . . . 25.0 113.027 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.2 166.8 20.29 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.553 2.169 . . . . 25.0 112.873 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.16 54.28 4.57 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 120.98 1.12 . . . . 25.0 112.681 175.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.19 -83.64 1.08 Allowed Glycine 0 C--O 1.218 -0.876 0 N-CA-C 111.333 -0.707 . . . . 25.0 111.333 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 60.4 t30 50.0 39.53 19.11 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.168 1.173 . . . . 25.0 114.168 178.199 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.26 98.24 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.03 -0.419 . . . . 25.0 111.035 -176.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.02 175.94 46.44 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 110.279 -1.129 . . . . 25.0 110.279 178.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.11 -147.19 16.42 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.819 -0.912 . . . . 25.0 110.819 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 15.4 m 55.25 37.63 29.19 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 25.0 115.207 176.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.4 tp -129.85 44.97 2.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.107 0.956 . . . . 25.0 108.611 177.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.98 161.55 42.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.803 -177.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -146.6 152.69 39.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 177.04 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.72 160.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.415 0.626 . . . . 25.0 109.322 -178.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.98 123.82 23.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 14.6 t -129.44 2.65 5.08 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.704 0.764 . . . . 25.0 111.484 -176.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.99 52.68 14.49 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.868 1.318 . . . . 25.0 113.143 177.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -117.28 46.16 1.18 Allowed Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 109.433 -1.467 . . . . 25.0 109.433 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.52 130.07 36.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.986 0.422 . . . . 25.0 109.895 -175.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.12 48.8 0.95 Allowed Glycine 0 C--O 1.228 -0.278 0 N-CA-C 114.087 0.395 . . . . 25.0 114.087 -177.379 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -72.21 153.2 41.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 176.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -96.68 -103.26 0.17 Allowed 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.952 0.406 . . . . 25.0 111.278 -178.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 62.7 p -139.24 104.11 4.91 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.473 -0.767 . . . . 25.0 110.998 -177.16 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.9 p -88.57 12.23 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.393 1.092 . . . . 25.0 109.128 177.163 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 36.4 pt -137.34 165.59 26.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.805 -1.088 . . . . 25.0 109.044 -178.073 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.18 107.65 15.59 Favored Pre-proline 0 C--O 1.247 0.967 0 N-CA-C 105.382 -2.081 . . . . 25.0 105.382 171.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.73 -24.26 21.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 114.889 -2.94 . . . . 25.0 114.649 -170.414 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -71.37 -39.54 71.17 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.837 -0.345 . . . . 25.0 111.755 -179.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.12 -38.74 75.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.42 91.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.016 177.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.43 -45.05 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 119.93 -0.081 . . . . 25.0 110.895 178.594 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -61.39 -41.9 97.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.195 0.521 . . . . 25.0 109.869 178.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.3 98.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.803 -0.635 . . . . 25.0 112.104 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 14.1 p -71.18 -33.39 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.424 -0.797 . . . . 25.0 111.408 -176.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.33 -46.95 82.74 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.039 -0.264 . . . . 25.0 110.593 179.572 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -62.96 -40.77 98.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.188 0.518 . . . . 25.0 111.576 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.59 -45.21 97.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.529 -0.305 . . . . 25.0 111.516 -174.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.18 -37.8 86.66 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.377 -0.529 . . . . 25.0 110.313 177.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.501 ' HA ' ' HE3' ' B' ' 172' ' ' LYS . 55.6 mt-10 -67.32 -38.9 85.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.798 -0.564 . . . . 25.0 112.424 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.6 -41.51 94.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.182 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 31.1 t -71.87 -36.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.383 179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 169' ' ' GLU . 47.0 mtmt -62.32 -40.7 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.841 -0.537 . . . . 25.0 110.235 177.161 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.38 -30.17 47.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.429 1.64 . . . . 25.0 115.429 -178.196 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.46 -16.37 64.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.813 0.816 . . . . 25.0 109.913 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -79.34 0.33 29.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.213 -0.903 . . . . 25.0 112.69 175.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . -155.92 -96.13 0.12 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.162 -1.018 . . . . 25.0 115.584 -177.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 94.87 -59.67 1.74 Allowed Glycine 0 C--O 1.219 -0.83 0 N-CA-C 111.397 -0.681 . . . . 25.0 111.397 -175.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.7 m -111.34 0.35 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 122.327 1.061 . . . . 25.0 110.885 178.473 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -82.59 77.56 9.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.856 -1.066 . . . . 25.0 110.133 -179.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 124.202 1.953 . . . . 25.0 111.908 179.814 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 mtm . . . . . 0 N--CA 1.502 2.16 0 CA-C-O 123.618 1.675 . . . . 25.0 114.36 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -70.32 127.83 34.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 178.412 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -57.76 -25.32 60.29 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -176.662 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.6 -28.81 63.97 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.114 -0.991 . . . . 25.0 112.262 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.01 -49.21 77.63 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 -177.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.17 -31.05 70.32 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.23 -178.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.94 -50.08 67.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mtp -60.25 -35.59 75.84 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.016 -0.673 . . . . 25.0 111.495 -178.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.13 97.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 120.04 -0.664 . . . . 25.0 109.908 177.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.93 63.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.295 1.045 . . . . 25.0 110.541 -175.257 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.71 -40.77 97.6 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.724 -0.671 . . . . 25.0 109.986 178.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -59.81 -38.52 82.22 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.158 178.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.1 m -66.09 -46.92 75.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.983 0.734 . . . . 25.0 112.983 -178.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -79.72 -14.99 58.35 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.586 -0.846 . . . . 25.0 112.2 -175.037 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -112.94 9.87 18.87 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 121.136 -0.978 . . . . 25.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.7 -57.68 9.94 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 109.453 -0.573 . . . . 25.0 109.453 -178.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.14 -33.34 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 -178.425 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.36 -45.62 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.472 0.545 . . . . 25.0 112.472 -176.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -78.0 -31.27 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.723 -0.611 . . . . 25.0 111.236 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.35 -41.01 90.15 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.894 -0.322 . . . . 25.0 111.35 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.75 -41.2 98.05 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.545 -0.539 . . . . 25.0 109.545 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -67.79 -41.98 82.35 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.865 -0.734 . . . . 25.0 111.056 178.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.81 85.19 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.449 -0.5 . . . . 25.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.69 -25.46 63.89 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 122.211 -0.306 . . . . 25.0 110.427 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.1 -38.91 51.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.834 0.349 . . . . 25.0 111.026 177.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -78.96 -39.36 34.61 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.777 1.029 . . . . 25.0 113.777 179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -130.61 68.26 81.32 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 115.51 -0.768 . . . . 25.0 109.707 -176.668 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.92 132.67 33.1 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 113.889 -3.607 . . . . 25.0 113.555 -177.452 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.71 -19.89 8.6 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 115.342 0.897 . . . . 25.0 115.342 -179.14 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -91.18 83.46 5.55 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 119.296 1.548 . . . . 25.0 111.61 -175.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -50.03 -46.64 53.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -177.519 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.34 -47.24 85.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.705 -0.622 . . . . 25.0 111.797 -178.385 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.21 -36.12 82.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.301 0.572 . . . . 25.0 111.308 178.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.08 -43.76 97.64 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.204 -0.453 . . . . 25.0 109.919 176.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.897 -0.502 . . . . 25.0 110.648 -179.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.7 -44.03 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 tp -66.29 -43.3 86.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.663 -0.648 . . . . 25.0 111.555 178.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -61.45 -39.47 82.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 118.707 -0.663 . . . . 25.0 110.096 179.721 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -57.11 -47.55 80.8 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.709 0.686 . . . . 25.0 111.107 177.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.67 -41.52 92.36 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.957 -0.464 . . . . 25.0 110.609 -178.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.99 -39.95 95.28 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.146 -0.479 . . . . 25.0 111.977 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -66.16 -35.23 79.93 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.685 -0.634 . . . . 25.0 110.986 178.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.13 -51.4 54.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.364 -0.535 . . . . 25.0 110.412 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -63.6 -37.11 86.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.27 -178.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -61.1 -50.28 73.87 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 109.575 -0.528 . . . . 25.0 109.575 176.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.26 -46.21 86.4 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.379 -0.529 . . . . 25.0 110.433 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.34 -48.93 79.65 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.152 -0.314 . . . . 25.0 110.152 -176.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -66.43 -41.68 88.85 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 117.953 0.342 . . . . 25.0 111.173 179.003 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.8 -50.98 71.26 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.842 -0.536 . . . . 25.0 110.881 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.6 tpp -65.48 -38.28 89.31 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.674 -0.41 . . . . 25.0 110.415 -177.245 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -63.89 -42.78 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.492 0.663 . . . . 25.0 110.849 177.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -72.19 -42.54 65.71 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.997 -179.204 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.28 -38.8 81.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 25.0 110.302 178.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -59.13 -39.05 81.13 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 179.379 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -69.62 -32.22 70.79 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 178.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -71.76 -50.15 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 110.12 -0.326 . . . . 25.0 110.12 -178.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -64.21 -34.38 77.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.076 0.465 . . . . 25.0 110.091 179.2 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.89 -44.1 94.01 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.72 175.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.11 92.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.919 -0.4 . . . . 25.0 109.919 -178.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.01 -42.49 99.85 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.842 0.353 . . . . 25.0 110.333 177.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -65.49 -41.71 92.98 Favored 'General case' 0 C--O 1.216 -0.686 0 O-C-N 122.076 -0.39 . . . . 25.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -66.47 -34.12 77.21 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.289 -0.882 . . . . 25.0 111.631 179.374 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.36 73.45 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 122.36 -0.213 . . . . 25.0 110.638 176.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.55 44.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.821 176.583 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.33 -51.04 33.03 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -176.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 43.73 38.75 2.14 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.934 1.087 . . . . 25.0 113.934 -176.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -131.81 18.02 4.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.622 -179.406 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 45.43 48.68 10.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 114.943 -1.026 . . . . 25.0 113.434 -177.098 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.202 -1.441 0 CA-C-O 122.608 1.194 . . . . 25.0 110.206 178.365 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 115.587 0.995 . . . . 25.0 115.587 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.07 -39.68 0.54 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.327 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 60.4 mtm 54.49 60.15 3.72 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 179.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 28.7 m -61.75 147.19 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.758 -178.147 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -85.44 130.4 34.59 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.58 163.96 16.97 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 175.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.06 -2.19 14.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.657 172.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 16.1 m 44.46 50.83 8.03 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 115.96 1.837 . . . . 25.0 115.96 175.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -73.46 122.8 22.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.538 0.94 . . . . 25.0 113.538 -177.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -160.93 104.02 1.32 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.298 -0.865 . . . . 25.0 109.509 177.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.27 130.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 -179.393 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.08 47.82 2.48 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -176.868 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 5.2 mpp? 61.56 -168.46 0.18 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.4 1.08 . . . . 25.0 109.958 -174.043 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 142.78 -23.52 2.31 Favored Glycine 0 C--O 1.211 -1.302 0 CA-C-O 122.25 0.916 . . . . 25.0 113.39 -174.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -66.29 -32.7 74.27 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -176.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t 31.67 56.3 0.3 Allowed 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 115.197 1.554 . . . . 25.0 115.197 175.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.88 107.08 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 114.052 1.131 . . . . 25.0 114.052 -173.466 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.0 p -146.94 121.17 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 105.08 -2.192 . . . . 25.0 105.08 173.133 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -74.08 -48.5 6.0 Favored Pre-proline 0 CA--C 1.552 1.039 0 N-CA-C 114.453 1.279 . . . . 25.0 114.453 -176.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.14 97.04 0.9 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 115.837 -2.308 . . . . 25.0 112.089 175.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.66 42.68 Favored Pre-proline 0 C--N 1.327 -0.413 0 N-CA-C 107.831 -1.174 . . . . 25.0 107.831 -175.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.61 147.51 63.98 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 116.134 -2.111 . . . . 25.0 111.705 177.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.78 145.55 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -175.029 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 70.7 tttt 52.32 61.16 12.36 Favored Pre-proline 0 N--CA 1.48 1.038 0 N-CA-C 115.441 1.645 . . . . 25.0 115.441 175.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.65 152.64 74.38 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 116.223 -2.051 . . . . 25.0 110.847 170.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 41.0 p -133.71 65.65 1.57 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.901 -0.499 . . . . 25.0 110.55 -177.21 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -141.09 52.27 1.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.611 0.967 . . . . 25.0 113.611 -175.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -130.7 97.31 21.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-O 120.486 0.184 . . . . 25.0 111.338 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -84.03 119.28 2.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 N-CA-C 115.579 1.338 . . . . 25.0 115.579 -176.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.9 t -153.99 158.31 40.41 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.461 -0.775 . . . . 25.0 109.101 172.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -155.56 18.95 0.4 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.9 0.381 . . . . 25.0 110.614 178.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.53 -169.41 54.92 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.116 -0.824 . . . . 25.0 111.398 -177.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.51 153.87 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 119.376 1.588 . . . . 25.0 111.507 179.266 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.13 12.9 1.39 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 116.534 1.705 . . . . 25.0 116.534 -178.416 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.34 20.3 78.12 Favored Glycine 0 N--CA 1.465 0.595 0 O-C-N 121.743 -0.598 . . . . 25.0 114.282 177.147 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.17 47.18 0.77 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -176.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -124.25 129.44 50.78 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-O 121.307 0.575 . . . . 25.0 110.447 179.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.14 167.89 37.34 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 109.088 -1.605 . . . . 25.0 109.088 177.039 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.81 136.6 2.13 Favored Glycine 0 CA--C 1.508 -0.386 0 N-CA-C 111.047 -0.821 . . . . 25.0 111.047 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 45.3 m -152.02 85.77 1.29 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 179.507 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 36.0 tp -141.95 85.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 -175.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.19 167.83 29.19 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.385 -0.37 . . . . 25.0 110.192 -177.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 61.4 p -147.17 160.47 42.41 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 102.104 -3.295 . . . . 25.0 102.104 171.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 48.0 t -127.07 125.22 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -178.189 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -76.67 120.94 27.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -175.533 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.2 t -129.4 -0.38 5.04 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.089 0.947 . . . . 25.0 109.824 177.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 44.44 27.46 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 117.388 2.366 . . . . 25.0 117.388 178.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.39 29.14 5.82 Favored Glycine 0 CA--C 1.517 0.196 0 O-C-N 120.986 -1.071 . . . . 25.0 113.335 178.267 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.49 137.88 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 121.847 0.832 . . . . 25.0 109.886 -177.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.24 71.31 1.24 Allowed Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.552 -0.619 . . . . 25.0 111.552 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -52.34 -30.99 31.25 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 -179.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp 50.6 -81.82 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.98 1.845 . . . . 25.0 115.98 177.007 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 70.9 m -131.03 88.73 2.64 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 178.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.2 p -73.86 -2.72 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-O 122.139 0.971 . . . . 25.0 110.351 179.469 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.06 171.65 2.06 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.213 177.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -96.08 99.15 4.73 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 106.155 -1.794 . . . . 25.0 106.155 172.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.92 -21.44 28.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 N-CA-C 116.809 1.811 . . . . 25.0 116.809 -170.88 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -70.99 -33.29 70.27 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.187 0.903 . . . . 25.0 111.508 179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 50.2 t -70.1 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 177.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.82 -34.95 78.93 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.14 -0.482 . . . . 25.0 110.739 178.421 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.07 -45.01 95.42 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -63.47 -41.14 98.61 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.996 -0.44 . . . . 25.0 110.092 178.369 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.97 68.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.988 -0.551 . . . . 25.0 112.175 -178.083 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.37 -29.36 64.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.793 -173.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -66.72 -38.77 87.37 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.577 -0.702 . . . . 25.0 109.612 179.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -68.54 -35.07 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.344 0.402 . . . . 25.0 110.471 177.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.75 -41.22 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 175.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 36.1 mt -63.68 -37.57 87.84 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.198 -0.455 . . . . 25.0 110.722 178.134 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.81 -47.25 75.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 118.56 0.618 . . . . 25.0 111.186 174.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -48.5 79.98 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -178.03 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.79 -27.13 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 O-C-N 121.999 -0.438 . . . . 25.0 110.886 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -72.54 -38.94 67.86 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 176.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -21.42 62.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.33 -17.38 58.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 120.332 -0.547 . . . . 25.0 110.521 174.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -99.28 3.2 46.1 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -176.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.82 -148.1 49.94 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 109.945 -1.262 . . . . 25.0 109.945 -176.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -133.14 41.7 1.45 Allowed Glycine 0 C--O 1.209 -1.416 0 N-CA-C 111.295 -0.722 . . . . 25.0 111.295 -179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.35 34.4 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.575 0 CA-C-O 121.79 0.805 . . . . 25.0 111.697 -176.221 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 50.42 78.0 0.11 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 177.197 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 125.236 2.446 . . . . 25.0 113.682 178.253 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 126.75 3.167 . . . . 25.0 113.964 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.32 8.93 41.64 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 119.742 -1.849 . . . . 25.0 113.921 -174.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.45 -43.98 72.11 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.942 -0.303 . . . . 25.0 111.058 179.002 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -69.91 -33.54 72.32 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.767 -0.583 . . . . 25.0 112.32 -179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.69 -39.45 91.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 -177.023 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -64.0 -37.02 85.91 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.24 -51.2 68.14 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 179.151 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtp -59.87 -42.02 92.82 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.548 -0.461 . . . . 25.0 110.191 -178.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.2 80.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.493 0.588 . . . . 25.0 111.392 176.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -40.32 64.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.004 0.431 . . . . 25.0 110.188 -176.266 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.33 -39.79 92.86 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 178.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -66.75 -33.57 75.92 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.473 -0.785 . . . . 25.0 109.599 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -68.07 -48.37 65.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.935 0.346 . . . . 25.0 111.935 -179.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -14.03 61.47 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -176.475 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.3 p -120.23 14.64 12.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.11 -56.78 16.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.808 0.337 . . . . 25.0 111.108 -175.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.96 -31.72 48.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 121.034 -0.266 . . . . 25.0 110.54 -177.143 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.69 -46.18 83.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.842 0.354 . . . . 25.0 110.894 -177.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -73.31 -33.94 65.44 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -64.36 -44.92 89.9 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 118.785 -0.626 . . . . 25.0 110.819 177.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -63.12 -44.47 95.52 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 118.593 0.633 . . . . 25.0 109.723 -179.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.81 -40.84 83.83 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.043 -1.036 . . . . 25.0 111.661 -178.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.14 -33.67 76.56 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 120.633 -0.427 . . . . 25.0 110.531 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.62 -32.87 68.45 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 111.858 0.318 . . . . 25.0 111.858 177.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.29 -39.44 85.98 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 120.199 -0.6 . . . . 25.0 110.085 176.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.32 -39.66 24.82 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 119.811 -0.756 . . . . 25.0 112.089 -175.282 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -134.08 67.66 73.61 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.819 0.342 . . . . 25.0 110.19 -175.459 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.67 142.6 71.25 Favored 'Trans proline' 0 C--O 1.218 -0.481 0 C-N-CA 116.328 -1.982 . . . . 25.0 113.324 -176.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.44 -22.98 1.26 Allowed Glycine 0 C--O 1.23 -0.131 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -91.98 86.26 5.8 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 118.367 1.084 . . . . 25.0 110.195 -174.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -51.74 -41.55 61.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.936 -1.029 . . . . 25.0 112.815 -178.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -64.0 -49.4 72.62 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.694 -0.629 . . . . 25.0 110.714 -178.33 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -64.7 -34.5 78.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 25.0 110.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.93 -44.59 92.4 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.218 -0.593 . . . . 25.0 110.932 177.568 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -62.01 -40.67 96.45 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.175 -0.328 . . . . 25.0 111.285 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.1 -44.54 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 23' ' ' ALA . 33.1 tp -68.04 -42.12 81.04 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.781 -0.574 . . . . 25.0 110.967 177.17 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -59.77 -36.87 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 119.341 -0.361 . . . . 25.0 110.702 178.635 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -58.0 -46.97 84.39 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.442 0.639 . . . . 25.0 111.586 176.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -65.29 -40.22 93.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.377 0.608 . . . . 25.0 110.301 -178.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.14 -42.2 94.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.027 -0.533 . . . . 25.0 111.055 -179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.52 -41.07 76.51 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 121.035 -0.266 . . . . 25.0 111.429 -178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.14 -51.94 64.46 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -64.85 -34.93 79.55 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.555 -0.293 . . . . 25.0 110.87 -177.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -59.92 -46.96 87.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 177.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -61.28 -45.46 94.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.633 -0.258 . . . . 25.0 111.48 178.183 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -58.4 -51.43 69.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.287 0.565 . . . . 25.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.88 -40.64 87.86 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.963 -0.461 . . . . 25.0 111.081 -177.361 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.56 -47.71 77.74 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 122.0 -0.438 . . . . 25.0 110.142 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -38.24 90.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.184 0.439 . . . . 25.0 112.184 -177.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.92 -37.9 79.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.063 0.459 . . . . 25.0 112.007 179.161 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -47.37 57.86 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 177.649 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.0 tp -56.78 -39.37 73.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 25.0 111.774 179.51 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.76 -41.04 85.63 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 178.585 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -68.91 -32.72 72.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 178.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.57 -46.24 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.003 -0.435 . . . . 25.0 110.083 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -71.26 -30.05 65.83 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.7 -38.51 89.43 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 116.061 -0.518 . . . . 25.0 110.056 175.272 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.13 97.24 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.941 -0.474 . . . . 25.0 109.764 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -65.09 -39.47 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.462 . . . . 25.0 110.874 175.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -67.1 -36.37 81.8 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.05 -0.407 . . . . 25.0 111.805 178.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 173.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.96 -21.4 62.34 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 122.719 0.408 . . . . 25.0 111.12 178.079 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.92 -23.89 44.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.296 0.569 . . . . 25.0 109.751 175.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -91.67 -50.11 5.93 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -176.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 47.14 39.79 8.82 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.346 -1.297 . . . . 25.0 113.42 -176.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -133.1 19.23 4.07 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 121.316 0.579 . . . . 25.0 112.048 179.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -139.92 125.61 19.35 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 176.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 123.689 1.709 . . . . 25.0 112.016 -175.72 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 3.462 0 CA-C-O 124.511 2.173 . . . . 25.0 113.673 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 57.59 -144.71 0.62 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 111.012 -2.594 . . . . 25.0 110.231 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 49.8 tpp -137.72 143.43 41.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.99 136.48 60.18 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.793 0 N-CA-C 105.098 -2.186 . . . . 25.0 105.098 177.54 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -132.54 134.59 45.17 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 -177.501 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.06 58.89 4.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.98 0.512 . . . . 25.0 111.866 -174.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -63.32 126.22 26.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.22 0.533 . . . . 25.0 111.047 -175.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t -74.21 125.01 27.46 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 173.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.41 29.9 5.92 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 177.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.28 77.75 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.474 -0.785 . . . . 25.0 113.051 -176.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 t 37.42 56.69 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.271 1.211 . . . . 25.0 114.271 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.07 148.13 26.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.396 179.149 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 77.2 mtm -109.59 85.54 2.12 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 122.357 -0.214 . . . . 25.0 110.493 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.64 21.83 67.43 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 114.063 0.385 . . . . 25.0 114.063 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.04 -49.9 26.07 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-O 121.823 0.82 . . . . 25.0 112.378 -175.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 82.3 p -113.14 7.74 18.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.86 -0.525 . . . . 25.0 111.298 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 p -140.01 133.75 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.361 0.601 . . . . 25.0 110.85 -172.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 24.5 t -85.1 89.37 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 106.989 -1.486 . . . . 25.0 106.989 177.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.02 -48.71 78.14 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -84.61 12.21 3.12 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 116.344 -1.971 . . . . 25.0 117.199 -177.627 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.93 47.81 Favored Pre-proline 0 C--O 1.245 0.837 0 N-CA-C 115.327 1.602 . . . . 25.0 115.327 -178.08 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.24 147.92 43.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 114.055 -3.497 . . . . 25.0 111.449 -177.064 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.09 153.18 35.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.584 -0.735 . . . . 25.0 110.283 -178.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.275 40.0 ttmt 71.12 -95.6 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.683 0 CA-C-O 116.831 -1.557 . . . . 25.0 110.537 -175.125 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 147.42 53.07 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 108.388 -7.275 . . . . 25.0 110.709 171.804 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 62.3 p -120.27 13.86 12.02 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 122.067 -0.396 . . . . 25.0 111.676 -175.706 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 31.8 m -139.86 150.44 44.65 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 -178.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.27 156.98 91.05 Favored Pre-proline 0 C--N 1.321 -0.637 0 O-C-N 123.767 0.667 . . . . 25.0 109.413 178.224 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.55 133.94 27.2 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 116.899 -1.601 . . . . 25.0 112.164 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.8 t -150.07 160.51 43.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 178.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 15.0 p -153.56 42.87 0.57 Allowed 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 -179.331 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -166.33 176.12 41.64 Favored Glycine 0 CA--C 1.524 0.641 0 O-C-N 121.165 -0.96 . . . . 25.0 114.439 178.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.02 163.51 30.79 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 121.566 1.51 . . . . 25.0 111.594 179.56 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.15 160.61 32.98 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 N-CA-C 113.968 0.718 . . . . 25.0 113.968 179.723 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.01 60.58 0.44 Allowed Glycine 0 N--CA 1.47 0.919 0 CA-C-N 116.023 -0.535 . . . . 25.0 114.111 179.179 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.63 119.72 30.29 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.604 -0.35 . . . . 25.0 110.297 178.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -139.62 152.82 47.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.229 0.538 . . . . 25.0 110.374 -177.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -171.02 171.65 44.0 Favored Glycine 0 C--O 1.219 -0.807 0 N-CA-C 108.484 -1.846 . . . . 25.0 108.484 176.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.4 3.23 89.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.045 179.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 51.8 p -138.25 68.66 1.39 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.323 0.649 . . . . 25.0 111.625 -174.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -99.23 -1.48 39.05 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 113.533 0.938 . . . . 25.0 113.533 -176.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 mt 63.07 158.71 0.07 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.999 1.72 . . . . 25.0 114.087 178.485 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 52.9 m -156.48 154.01 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 72.9 t -89.33 129.26 40.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 177.228 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.76 118.25 15.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 N-CA-C 106.719 -1.585 . . . . 25.0 106.719 178.003 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 11.8 t -131.07 -4.85 3.92 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 112.97 0.73 . . . . 25.0 112.97 -176.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.39 40.8 4.04 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 114.116 -1.402 . . . . 25.0 113.865 177.046 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.32 17.29 48.83 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.578 -0.737 . . . . 25.0 113.85 -174.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 11.9 p -146.43 139.4 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 179.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 156.52 -76.11 0.21 Allowed Glycine 0 C--O 1.218 -0.896 0 N-CA-C 108.918 -1.673 . . . . 25.0 108.918 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -127.85 151.68 48.76 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.73 0.776 . . . . 25.0 109.975 176.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.32 125.89 46.6 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.2 m 54.62 85.97 0.06 Allowed 'General case' 0 C--O 1.203 -1.377 0 N-CA-C 113.972 1.101 . . . . 25.0 113.972 -177.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.34 -2.71 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 114.883 -1.053 . . . . 25.0 110.8 171.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 31.2 pt -111.66 160.28 11.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 178.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.9 109.57 13.94 Favored Pre-proline 0 C--O 1.248 1.012 0 N-CA-C 105.022 -2.214 . . . . 25.0 105.022 170.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.36 -23.07 6.45 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 C-N-CA 115.03 -2.847 . . . . 25.0 114.781 -168.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -72.05 -38.82 69.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.227 -0.921 . . . . 25.0 112.816 -174.109 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -36.89 62.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 176.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.65 91.86 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 120.439 -0.504 . . . . 25.0 110.867 -177.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.7 -39.43 88.07 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.916 -0.49 . . . . 25.0 111.628 179.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.98 -42.77 97.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 177.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.22 77.5 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.401 -0.818 . . . . 25.0 112.618 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 5.1 p -72.57 -35.84 68.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.386 -0.926 . . . . 25.0 110.473 -179.206 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -66.49 -41.17 89.34 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 120.987 -0.285 . . . . 25.0 110.39 178.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.45 -40.31 90.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.319 1.057 . . . . 25.0 110.042 179.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 52.3 t -66.67 -43.24 90.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.284 -0.871 . . . . 25.0 111.103 177.561 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.7 -39.25 93.85 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.199 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.36 -45.84 86.01 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.854 -0.529 . . . . 25.0 111.462 177.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -63.03 -43.32 99.02 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.907 -0.317 . . . . 25.0 111.755 -176.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.82 -29.63 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 119.811 -0.756 . . . . 25.0 111.278 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.65 -38.27 86.54 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 175.009 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 -34.11 71.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -178.498 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.81 -19.68 43.44 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 177.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -80.19 -10.56 59.77 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -177.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 63.02 16.04 56.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 116.43 1.332 . . . . 25.0 116.43 178.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.55 43.57 Favored Glycine 0 C--O 1.223 -0.559 0 CA-C-N 117.656 0.728 . . . . 25.0 113.495 -177.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.2 t -86.69 5.88 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 121.193 0.52 . . . . 25.0 111.862 -173.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -112.91 95.16 5.26 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 178.095 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 124.306 2.003 . . . . 25.0 114.074 -176.221 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 123.148 1.451 . . . . 25.0 114.568 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.07 23.59 0.85 Allowed 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.672 -1.267 . . . . 25.0 111.745 -178.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -55.5 -24.2 30.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.488 0.715 . . . . 25.0 112.884 179.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -63.03 -33.3 75.13 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.394 -0.816 . . . . 25.0 112.371 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.38 -42.17 98.83 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -175.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -66.66 -30.43 70.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.337 0.972 . . . . 25.0 111.138 178.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.72 -51.97 45.21 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.982 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 176.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.8 mtp -59.15 -40.23 84.92 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.754 -0.778 . . . . 25.0 111.949 -178.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.58 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.131 0.423 . . . . 25.0 111.059 177.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.53 62.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.221 0.534 . . . . 25.0 109.854 -176.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.59 -39.81 94.92 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.459 179.293 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.89 -33.9 76.91 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 115.813 -0.63 . . . . 25.0 109.349 -178.163 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 t -59.63 -51.79 68.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -79.17 -9.68 59.63 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -176.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.4 p -116.71 3.68 13.03 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.87 -54.94 31.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 111.994 -177.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.12 -28.63 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.829 -175.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.98 -46.75 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.579 -0.701 . . . . 25.0 110.689 -179.21 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.54 -36.92 73.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 116.115 -0.493 . . . . 25.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -62.93 -41.02 99.33 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 178.308 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.87 -38.46 88.85 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.115 -0.365 . . . . 25.0 110.557 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -70.67 -39.85 73.33 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 119.587 -0.845 . . . . 25.0 111.3 178.041 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.17 -37.25 86.5 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.828 -0.434 . . . . 25.0 109.828 178.869 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.04 66.88 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 120.804 0.335 . . . . 25.0 111.397 177.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -73.78 -30.26 62.65 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.916 0.389 . . . . 25.0 110.038 178.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -90.32 -33.83 15.94 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -136.62 65.95 55.85 Favored Pre-proline 0 C--O 1.249 1.034 0 C-N-CA 122.883 0.473 . . . . 25.0 110.992 -177.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.67 133.18 43.92 Favored 'Trans proline' 0 C--O 1.214 -0.686 0 C-N-CA 116.303 -1.998 . . . . 25.0 113.968 -176.266 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.31 -22.38 5.36 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.149 1.219 . . . . 25.0 116.149 -178.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.48 85.36 6.51 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.243 1.522 . . . . 25.0 109.746 -176.309 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -51.69 -48.19 63.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -177.231 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -62.83 -45.07 94.35 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.419 -0.801 . . . . 25.0 111.778 -178.627 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.9 -37.89 86.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.478 0.656 . . . . 25.0 111.183 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -62.12 -44.94 95.54 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -63.46 -41.35 98.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 118.348 0.522 . . . . 25.0 110.773 -179.013 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.7 -42.7 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 25.0 110.506 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 48.8 tp -68.22 -40.57 82.06 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.488 177.235 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.3 mt -58.93 -39.63 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 109.5 -0.555 . . . . 25.0 109.5 177.468 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -62.39 -38.91 91.46 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.691 -0.631 . . . . 25.0 111.373 179.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -66.22 -43.26 87.17 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.019 175.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.8 -37.93 86.23 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.154 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -68.34 -36.74 79.7 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.252 -0.28 . . . . 25.0 111.519 179.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.01 -48.83 62.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.67 -39.14 83.48 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 179.474 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -63.89 -48.13 77.86 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-O 119.055 -0.498 . . . . 25.0 111.222 177.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.56 -43.37 93.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.042 -1.063 . . . . 25.0 111.187 -179.669 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -63.66 -47.94 79.23 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.545 -0.462 . . . . 25.0 111.585 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -66.43 -38.16 86.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.405 0.548 . . . . 25.0 111.098 179.22 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.47 -49.21 77.7 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 121.121 -0.232 . . . . 25.0 110.883 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.3 tpp -68.44 -39.34 81.53 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.436 -175.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -64.9 -41.86 95.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 25.0 110.874 178.33 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 HE22 ' HB2' ' B' ' 162' ' ' LYS . 39.5 tt0 -71.91 -43.14 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.709 -0.619 . . . . 25.0 109.94 -179.823 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 tp -59.52 -38.17 80.26 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.888 0.375 . . . . 25.0 110.693 177.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.68 -41.26 90.26 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 109.517 -0.549 . . . . 25.0 109.517 179.003 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -71.13 -30.02 65.97 Favored 'General case' 0 C--O 1.222 -0.38 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.2 t -72.08 -47.29 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 121.439 -0.788 . . . . 25.0 110.811 178.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.81 -29.52 66.83 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.61 179.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.38 -43.31 94.9 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 110.153 -0.314 . . . . 25.0 110.153 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.94 77.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.815 0.341 . . . . 25.0 110.208 179.031 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.32 -42.81 83.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.277 0.561 . . . . 25.0 109.923 177.896 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -66.21 -35.71 81.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.184 -0.462 . . . . 25.0 112.124 -179.588 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.76 -37.11 80.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.904 -0.497 . . . . 25.0 109.924 177.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.0 -22.16 61.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.963 0.357 . . . . 25.0 111.963 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.83 -34.58 33.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 172.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.31 -52.93 14.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.137 -0.483 . . . . 25.0 112.19 -177.117 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 47.76 27.22 1.04 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.795 1.405 . . . . 25.0 114.795 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -134.84 6.35 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.849 -0.532 . . . . 25.0 111.083 -178.444 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -138.96 101.24 4.24 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -176.002 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 . . . . . 0 C--O 1.205 -1.252 0 CA-C-O 123.661 1.696 . . . . 25.0 112.629 -178.337 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.689 0 CA-C-O 124.278 2.044 . . . . 25.0 114.943 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.85 154.86 26.87 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 113.574 -1.313 . . . . 25.0 109.392 179.094 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -73.19 142.77 47.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.603 0.716 . . . . 25.0 110.114 178.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -160.98 137.02 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 178.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -146.68 15.65 1.25 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.511 0.672 . . . . 25.0 109.837 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 68.71 173.35 0.29 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.63 1.572 . . . . 25.0 112.975 -177.26 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -151.81 124.4 8.4 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.615 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -150.4 89.72 1.59 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.449 0.642 . . . . 25.0 109.313 -178.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 68.6 mt -120.76 106.61 11.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -177.016 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -158.98 70.22 0.49 Allowed 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 121.084 0.468 . . . . 25.0 110.392 -178.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 29.6 t -125.06 76.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 179.359 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.48 75.39 0.49 Allowed 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.391 -0.822 . . . . 25.0 112.331 -174.344 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.8 mmt -94.58 5.73 50.95 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 109.744 -0.465 . . . . 25.0 109.744 177.076 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 94.75 144.67 16.89 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 110.318 -1.113 . . . . 25.0 110.318 -179.706 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.96 -66.47 0.3 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.755 0.788 . . . . 25.0 109.855 -178.062 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 10.6 t -141.43 -6.48 1.03 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.159 0.799 . . . . 25.0 113.159 -173.227 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 29.6 t -101.93 88.95 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.484 0.659 . . . . 25.0 110.636 -177.614 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 40.5 t -142.7 74.14 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 105.09 -2.189 . . . . 25.0 105.09 176.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -63.84 -39.8 49.59 Favored Pre-proline 0 CA--C 1.554 1.098 0 N-CA-C 116.619 2.081 . . . . 25.0 116.619 -175.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.07 145.48 31.27 Favored 'Trans proline' 0 C--N 1.353 0.777 1 C-N-CA 112.846 -4.303 . . . . 25.0 112.355 179.837 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.83 72.6 5.84 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.503 178.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.91 149.31 53.22 Favored 'Trans proline' 0 C--O 1.219 -0.461 0 C-N-CA 115.878 -2.281 . . . . 25.0 112.747 178.928 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.466 HD23 ' H ' ' B' ' 123' ' ' LEU . 1.4 pt? -90.12 168.26 12.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.168 -0.924 . . . . 25.0 109.239 175.225 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.02 -53.89 1.89 Allowed Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 117.408 2.373 . . . . 25.0 117.408 -174.828 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.83 99.59 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 115.064 -2.824 . . . . 25.0 111.959 173.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.0 t -131.39 15.52 5.01 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.204 -0.907 . . . . 25.0 112.69 -175.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -69.53 105.24 2.57 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.891 -0.595 . . . . 25.0 111.276 179.123 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.37 161.79 34.75 Favored Pre-proline 0 C--O 1.25 1.101 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 179.685 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.78 160.45 46.17 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 114.837 -2.975 . . . . 25.0 110.406 174.564 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 39.6 p -75.3 -16.99 60.38 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.698 -0.626 . . . . 25.0 110.54 -179.564 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.9 m 55.51 -164.23 0.13 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 178.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.04 160.49 23.07 Favored Glycine 0 C--N 1.334 0.449 0 CA-C-O 119.099 -0.834 . . . . 25.0 112.626 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.03 163.73 15.49 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 CA-C-N 119.268 1.534 . . . . 25.0 113.12 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -75.42 118.72 5.26 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 117.817 -0.989 . . . . 25.0 112.765 175.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.25 -145.21 34.35 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 120.112 -1.042 . . . . 25.0 111.173 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.69 165.62 0.09 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 124.39 1.076 . . . . 25.0 113.586 -175.404 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.2 t30 47.21 40.24 9.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.674 1.361 . . . . 25.0 114.674 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -102.95 -164.13 25.85 Favored Glycine 0 N--CA 1.462 0.421 0 CA-C-N 116.203 -0.453 . . . . 25.0 112.472 -178.273 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.34 -161.04 10.2 Favored Glycine 0 C--O 1.217 -0.913 0 N-CA-C 109.956 -1.258 . . . . 25.0 109.956 -179.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 24.0 p 44.52 64.61 1.28 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.344 1.238 . . . . 25.0 114.344 178.656 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.3 mt -89.92 8.52 31.82 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.003 -0.544 . . . . 25.0 110.613 178.135 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt 63.44 178.02 0.16 Allowed 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 172.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 39.9 t -155.32 158.85 39.38 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 178.773 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.76 132.65 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 -178.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 47.2 mm -90.16 119.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 106.879 -1.526 . . . . 25.0 106.879 179.067 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.5 t -114.81 -1.78 13.12 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.854 -0.612 . . . . 25.0 111.471 -179.249 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 42.17 55.5 3.9 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 125.162 1.539 . . . . 25.0 114.863 179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -83.97 29.44 3.81 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.336 178.175 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.8 p -143.87 137.21 24.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 -179.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 130.14 84.87 0.36 Allowed Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.33 -1.108 . . . . 25.0 110.33 -174.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -72.62 151.24 42.42 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.67 124.71 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 25.0 110.219 -179.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 30.7 p -140.01 98.47 3.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 178.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 30.2 m -95.1 20.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.797 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 24.0 pt -141.61 163.27 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 -177.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -92.0 110.05 41.44 Favored Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 174.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.88 -24.31 24.69 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 115.082 -2.812 . . . . 25.0 114.289 -172.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.15 -34.25 77.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.428 0.632 . . . . 25.0 111.421 178.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 86.0 t -76.83 -42.77 33.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.58 98.76 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.358 0.599 . . . . 25.0 111.412 -178.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.51 -42.76 99.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.345 . . . . 25.0 110.484 -178.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . 0.45 ' HB2' HE22 ' A' ' 52' ' ' GLN . 94.8 mttt -72.21 -34.51 68.41 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 120.532 -0.467 . . . . 25.0 111.957 178.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.82 -48.35 72.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.669 -0.242 . . . . 25.0 110.399 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 30.2 p -69.91 -29.53 66.73 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.948 -0.701 . . . . 25.0 111.718 -177.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -57.78 -48.36 79.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 119.935 -0.706 . . . . 25.0 110.132 175.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.81 -36.08 83.18 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.552 -179.081 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.8 -44.42 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.45 -0.781 . . . . 25.0 111.509 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.38 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.489 -0.757 . . . . 25.0 110.101 179.128 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.44 -46.92 84.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.308 0.575 . . . . 25.0 111.513 177.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -46.95 86.94 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.985 -0.447 . . . . 25.0 111.96 -177.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.58 -31.44 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.047 -176.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -67.76 -41.0 84.02 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.155 0.502 . . . . 25.0 109.942 176.43 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.67 -15.07 59.42 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -178.182 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.15 -32.06 72.91 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 122.029 0.919 . . . . 25.0 108.956 171.664 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -79.71 -49.2 12.43 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.038 -0.983 . . . . 25.0 113.189 -173.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 62.6 -152.02 45.79 Favored Glycine 0 N--CA 1.461 0.364 0 N-CA-C 107.901 -2.08 . . . . 25.0 107.901 -168.699 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 87.54 8.69 73.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.075 -0.583 . . . . 25.0 112.456 176.285 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.76 52.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.902 0.858 . . . . 25.0 110.497 -178.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 51.85 45.71 27.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.978 -1.01 . . . . 25.0 112.204 -179.447 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 127.275 3.417 . . . . 25.0 110.647 -176.23 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.501 2.106 0 CA-C-O 124.179 1.942 . . . . 25.0 113.374 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.56 -28.11 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.443 -175.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.58 -35.16 73.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.291 -0.413 . . . . 25.0 111.47 -178.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -75.65 -39.62 57.42 Favored 'General case' 0 C--O 1.21 -1.023 0 O-C-N 121.774 -0.579 . . . . 25.0 109.654 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.59 -41.5 94.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -174.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -65.08 -31.45 72.67 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 119.604 -0.839 . . . . 25.0 112.165 177.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.46 -47.36 77.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 178.674 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.05 -38.1 84.97 Favored 'General case' 0 C--O 1.211 -0.967 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.86 -177.323 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.38 99.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.29 0.495 . . . . 25.0 112.002 176.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.24 74.2 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 122.523 1.154 . . . . 25.0 109.087 -178.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.41 -34.67 78.47 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 120.494 -1.379 . . . . 25.0 110.902 178.537 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.8 -33.94 75.8 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -63.5 -53.7 47.9 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 178.794 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -13.04 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -174.406 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.2 p -118.69 7.78 11.75 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.333 -0.854 . . . . 25.0 112.489 -179.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.0 -53.92 36.04 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.007 0.373 . . . . 25.0 112.007 -176.467 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.58 -33.61 45.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-O 121.375 0.607 . . . . 25.0 109.928 -177.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -66.37 -40.23 89.6 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 121.367 -0.833 . . . . 25.0 112.399 -176.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -75.01 -34.86 61.98 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 179.144 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.5 -37.95 88.3 Favored 'General case' 0 C--O 1.212 -0.879 0 O-C-N 123.702 0.626 . . . . 25.0 112.322 178.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.12 -44.98 82.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.627 -0.671 . . . . 25.0 110.698 177.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.69 -42.29 86.71 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 120.94 -0.304 . . . . 25.0 110.974 179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.57 -35.29 80.02 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 121.53 -0.731 . . . . 25.0 111.354 178.442 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -29.56 66.11 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.634 -0.666 . . . . 25.0 110.035 177.1 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.11 -38.87 82.77 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.706 0.765 . . . . 25.0 110.076 179.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -83.99 -36.3 23.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.592 -0.731 . . . . 25.0 112.177 -178.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -131.77 65.55 75.97 Favored Pre-proline 0 C--N 1.314 -0.958 0 C-N-CA 122.981 0.512 . . . . 25.0 111.589 -175.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.24 145.61 72.94 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 113.725 -3.717 . . . . 25.0 110.311 -179.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.15 -18.94 5.85 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 115.827 1.091 . . . . 25.0 115.827 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -103.61 89.71 3.43 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.08 1.44 . . . . 25.0 111.742 -174.013 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -54.85 -45.9 74.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.779 0.659 . . . . 25.0 112.779 179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -61.04 -48.55 81.26 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.12 -0.987 . . . . 25.0 111.324 -177.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -63.84 -34.23 77.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.734 -0.604 . . . . 25.0 112.158 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.42 -48.29 81.88 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 177.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -63.34 -40.82 98.35 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.711 0.404 . . . . 25.0 110.759 -178.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.45 -42.58 84.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 N-CA-C 110.022 -0.362 . . . . 25.0 110.022 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 23' ' ' ALA . 41.3 tp -68.98 -39.01 79.67 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.355 -0.84 . . . . 25.0 110.128 177.785 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.6 mt -62.68 -36.89 77.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -58.03 -45.5 86.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.251 -0.906 . . . . 25.0 110.81 177.315 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -64.48 -42.75 95.71 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.863 -0.523 . . . . 25.0 111.056 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.32 -40.16 93.36 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.221 -178.516 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.64 -41.69 92.31 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.17 -52.32 59.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.902 0.858 . . . . 25.0 111.256 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.78 -35.88 79.43 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.488 0.551 . . . . 25.0 112.488 179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -61.76 -47.75 83.77 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 178.072 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -58.76 -47.34 85.0 Favored 'General case' 0 CA--C 1.491 -1.297 0 C-N-CA 120.431 -0.508 . . . . 25.0 111.689 178.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -62.41 -46.27 89.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 118.952 -0.546 . . . . 25.0 110.887 -176.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -69.37 -39.02 78.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 118.374 0.533 . . . . 25.0 110.322 -178.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.14 -49.17 76.91 Favored 'General case' 0 C--O 1.194 -1.827 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.1 tpp -69.35 -35.74 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.192 -0.603 . . . . 25.0 111.724 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -64.41 -40.37 95.65 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 121.341 -0.849 . . . . 25.0 109.901 178.267 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -73.86 -43.61 58.09 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.86 -0.525 . . . . 25.0 111.931 178.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -60.12 -39.74 87.3 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.761 0.315 . . . . 25.0 110.479 179.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -57.44 -43.67 84.1 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 -179.32 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -68.73 -30.95 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 -179.106 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -72.85 -47.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 179.492 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -69.16 -30.01 68.15 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 121.136 -0.977 . . . . 25.0 111.464 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.56 -44.33 87.08 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 121.529 0.681 . . . . 25.0 111.501 173.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.72 Favored 'General case' 0 C--O 1.218 -0.605 0 C-N-CA 119.955 -0.698 . . . . 25.0 110.286 177.514 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -73.42 -31.1 63.66 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.98 -40.87 91.58 Favored 'General case' 0 C--O 1.247 0.945 0 C-N-CA 122.623 0.369 . . . . 25.0 110.649 176.38 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -67.99 -34.85 77.32 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.81 -25.03 64.47 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 175.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -36.88 38.41 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 173.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -48.27 62.74 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.13 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 52.68 29.14 6.98 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.73 1.212 . . . . 25.0 112.298 -176.617 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -132.89 14.51 4.32 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.427 1.108 . . . . 25.0 112.306 -178.623 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.88 164.93 27.14 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 100.789 -3.782 . . . . 25.0 100.789 -178.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 . . . . . 0 C--N 1.301 -1.532 0 CA-C-O 123.585 1.66 . . . . 25.0 114.311 -177.728 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 126.248 3.138 . . . . 25.0 114.222 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -91.65 19.44 6.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 110.483 -2.858 . . . . 25.0 113.276 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 97.3 mtp 53.84 63.59 2.14 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.495 0.664 . . . . 25.0 112.34 -178.155 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.1 151.71 9.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 122.254 1.025 . . . . 25.0 113.036 -178.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.85 158.7 34.4 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 114.464 -1.244 . . . . 25.0 108.14 -179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.06 146.25 43.83 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.06 143.25 55.59 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.953 -0.467 . . . . 25.0 111.173 -175.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 67.4 m -121.48 168.88 11.21 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 -178.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 142.47 55.65 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 124.111 0.882 . . . . 25.0 109.766 179.3 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -102.46 -11.78 18.33 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.314 -176.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.09 137.08 17.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 104.69 -2.337 . . . . 25.0 104.69 179.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.82 170.99 21.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 -176.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 21.6 ptp -150.5 164.67 35.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 104.902 -2.259 . . . . 25.0 104.902 173.279 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.71 99.7 0.17 Allowed Glycine 0 C--O 1.209 -1.411 0 C-N-CA 119.867 -1.158 . . . . 25.0 112.525 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -132.32 19.02 4.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.359 1.076 . . . . 25.0 109.572 -174.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 34.2 p 44.04 52.98 6.66 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 113.393 -1.73 . . . . 25.0 111.261 -176.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.23 123.36 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 114.845 -1.07 . . . . 25.0 113.101 -176.409 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.83 114.16 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 176.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.254 24.6 tt0 100.14 -60.76 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.49 0 N-CA-C 117.364 2.357 . . . . 25.0 117.364 174.301 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.24 139.4 29.19 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 114.316 -3.323 . . . . 25.0 114.634 -174.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -92.76 154.4 42.17 Favored Pre-proline 0 C--O 1.242 0.672 0 N-CA-C 107.17 -1.419 . . . . 25.0 107.17 175.037 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.94 153.74 74.58 Favored 'Trans proline' 0 C--O 1.239 0.538 0 C-N-CA 116.883 -1.611 . . . . 25.0 111.55 178.395 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.54 HD23 ' H ' ' B' ' 123' ' ' LEU . 1.2 pt? -74.68 167.31 22.04 Favored 'General case' 0 C--O 1.203 -1.353 0 CA-C-O 122.843 1.306 . . . . 25.0 109.236 -177.736 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.85 -42.05 94.11 Favored Pre-proline 0 N--CA 1.489 1.506 0 N-CA-C 117.697 2.48 . . . . 25.0 117.697 -171.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -58.99 152.44 58.51 Favored 'Trans proline' 0 C--O 1.205 -1.13 0 C-N-CA 114.506 -3.196 . . . . 25.0 113.959 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 18.7 p -136.34 169.07 18.26 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.442 -1.688 . . . . 25.0 106.442 179.273 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.3 m 58.52 42.12 21.43 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 124.75 1.282 . . . . 25.0 112.705 -178.33 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -70.86 153.53 94.74 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 173.602 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -72.49 148.37 48.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 CA-C-O 121.599 0.583 . . . . 25.0 112.99 -176.306 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 76.1 p -123.46 40.13 3.79 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.09 0.948 . . . . 25.0 110.592 -177.369 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.5 m -69.46 153.36 43.64 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -177.143 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -164.07 177.44 39.82 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-O 117.599 -1.667 . . . . 25.0 109.305 177.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -78.63 143.47 18.96 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 119.864 1.832 . . . . 25.0 113.107 -179.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -77.9 155.38 30.37 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 117.322 -1.319 . . . . 25.0 114.112 177.723 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -111.68 154.19 16.88 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 111.392 -0.683 . . . . 25.0 111.392 -179.578 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -78.03 -33.61 50.97 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 -173.378 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 51.21 62.34 2.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 177.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.99 146.43 50.4 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 114.411 0.525 . . . . 25.0 114.411 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.87 46.28 0.09 OUTLIER Glycine 0 N--CA 1.462 0.395 0 C-N-CA 120.62 -0.8 . . . . 25.0 112.823 -177.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 7.5 t -114.3 -149.31 0.44 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -178.229 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 14.9 tp 56.76 51.22 11.22 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.265 1.026 . . . . 25.0 111.517 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -92.96 122.88 35.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.694 0.759 . . . . 25.0 109.046 179.605 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 73.9 m -153.27 109.51 3.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 179.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 67.3 t -104.35 132.85 49.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.049 -1.463 . . . . 25.0 107.049 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.99 135.22 28.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 -177.167 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 4.9 p -106.14 -66.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.751 0.786 . . . . 25.0 109.945 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 42.95 49.36 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 113.611 -1.631 . . . . 25.0 114.468 170.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.77 35.07 1.96 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 115.545 0.978 . . . . 25.0 115.545 -176.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.88 144.76 26.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.988 -1.486 . . . . 25.0 106.988 -179.17 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.73 -76.91 1.33 Allowed Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.439 -1.464 . . . . 25.0 109.439 177.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.25 163.76 30.16 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 178.505 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 54.5 tp -155.31 130.32 9.42 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 107.889 -1.152 . . . . 25.0 107.889 176.082 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 24.3 m -90.02 81.73 6.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.849 -0.532 . . . . 25.0 110.296 -178.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.37 26.25 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.812 0 N-CA-C 113.521 0.934 . . . . 25.0 113.521 -176.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 33.9 pt -139.0 159.69 29.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.169 0.509 . . . . 25.0 112.206 -177.404 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.83 114.93 58.51 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 103.177 -2.897 . . . . 25.0 103.177 168.634 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -70.7 -26.26 23.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 115.645 -2.437 . . . . 25.0 115.701 -174.049 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.11 -39.2 63.51 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 -173.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -29.09 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 106.927 -1.509 . . . . 25.0 106.927 177.472 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.39 -41.97 88.58 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 175.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -63.76 -42.03 97.89 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 111.789 0.292 . . . . 25.0 111.789 177.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.2 -44.51 95.16 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.293 -0.879 . . . . 25.0 109.806 176.861 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.21 98.44 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -177.598 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.17 -35.07 75.89 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 119.693 -0.803 . . . . 25.0 111.381 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -65.11 -46.04 82.67 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.855 0.36 . . . . 25.0 110.764 179.648 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.391 0.615 . . . . 25.0 111.627 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 25.5 t -66.12 -38.46 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 107.887 -1.153 . . . . 25.0 107.887 177.355 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.84 -41.6 95.58 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.938 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.59 -43.06 99.76 Favored 'General case' 0 C--O 1.252 1.227 0 C-N-CA 120.706 -0.398 . . . . 25.0 110.529 178.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.09 -44.63 91.72 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-O 120.962 0.41 . . . . 25.0 111.448 -178.08 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.32 -26.19 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 O-C-N 120.504 -1.373 . . . . 25.0 111.826 -179.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.35 -26.27 61.85 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 175.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.76 -28.73 55.83 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.33 -21.89 66.54 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 122.929 1.347 . . . . 25.0 109.817 176.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -82.64 -1.73 51.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.072 -0.967 . . . . 25.0 112.961 -178.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 65.05 31.85 82.22 Favored Glycine 0 C--O 1.219 -0.788 0 O-C-N 124.225 0.953 . . . . 25.0 113.995 175.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -164.35 -24.85 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 119.67 2.628 . . . . 25.0 119.67 -178.076 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 65.7 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 116.513 2.042 . . . . 25.0 116.513 -178.716 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -105.34 86.85 2.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.233 1.013 . . . . 25.0 109.424 176.427 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.476 0.856 0 C-N-CA 126.279 1.831 . . . . 25.0 114.446 -179.962 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.511 2.614 0 CA-C-O 123.07 1.414 . . . . 25.0 113.554 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -125.39 2.03 7.72 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 114.133 1.16 . . . . 25.0 114.133 179.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -58.7 -29.57 66.74 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -173.422 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.25 -30.75 71.79 Favored 'General case' 0 C--O 1.209 -1.042 0 CA-C-N 118.317 0.508 . . . . 25.0 110.792 179.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -62.5 -45.72 91.73 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.539 0.941 . . . . 25.0 113.539 -176.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -67.6 -32.4 73.11 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 120.383 -0.527 . . . . 25.0 110.17 -178.699 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.9 -53.63 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 25.0 109.854 177.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.7 mtp -60.34 -39.12 85.97 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 120.251 -0.58 . . . . 25.0 110.066 -174.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.49 94.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.125 0.42 . . . . 25.0 110.671 179.348 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.51 74.35 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 121.407 0.622 . . . . 25.0 111.306 179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.51 -39.34 90.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.427 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -68.67 -33.87 74.72 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 109.357 -0.608 . . . . 25.0 109.357 -178.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.6 t -62.69 -54.84 33.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.41 0.624 . . . . 25.0 111.536 -179.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -13.06 62.06 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -174.566 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 12.72 9.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-O 121.24 0.543 . . . . 25.0 110.344 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.3 -30.51 26.62 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.192 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 -178.415 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -64.97 -43.23 93.34 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.263 -178.497 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -73.42 -36.6 65.98 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 -179.296 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.42 -41.28 93.75 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 119.028 -0.51 . . . . 25.0 110.807 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.609 0.64 . . . . 25.0 111.02 178.406 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.87 -43.34 68.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 121.696 0.76 . . . . 25.0 112.535 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.75 -36.37 80.8 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 121.644 -0.66 . . . . 25.0 112.017 179.025 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.16 68.82 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.865 178.433 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.1 -38.59 75.69 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.487 -0.758 . . . . 25.0 110.987 176.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.68 -33.0 25.28 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.013 -0.675 . . . . 25.0 112.794 -177.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -137.79 69.77 51.26 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 122.738 0.415 . . . . 25.0 109.899 -179.23 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -64.04 142.12 79.81 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 117.836 -0.976 . . . . 25.0 111.968 -178.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.36 -27.4 1.51 Allowed Glycine 0 C--N 1.343 0.967 0 N-CA-C 115.601 1.0 . . . . 25.0 115.601 -179.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -88.27 86.36 7.06 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 118.552 1.176 . . . . 25.0 109.767 -172.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -55.87 -42.52 76.0 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 121.43 0.633 . . . . 25.0 111.638 -177.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.46 -46.86 88.55 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 120.322 -0.551 . . . . 25.0 111.18 -178.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.77 -33.95 74.75 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 122.13 -0.356 . . . . 25.0 111.315 179.139 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -60.75 -44.59 96.51 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 176.314 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -65.14 -41.2 95.02 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.09 -42.33 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.641 -0.662 . . . . 25.0 109.287 -179.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.701 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.7 tp -65.89 -42.41 90.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 178.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.49 -41.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 O-C-N 121.019 -1.05 . . . . 25.0 109.581 177.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -59.77 -40.19 87.41 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.533 1.061 . . . . 25.0 110.563 178.182 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.99 -42.82 89.28 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.114 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.45 -39.15 91.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -178.149 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.62 -43.45 93.71 Favored 'General case' 0 C--O 1.245 0.827 0 O-C-N 123.573 0.545 . . . . 25.0 112.062 -178.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -65.64 -50.57 64.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.755 -0.461 . . . . 25.0 109.755 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.101 -0.499 . . . . 25.0 110.401 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.74 -45.41 92.28 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 118.258 0.481 . . . . 25.0 110.115 177.386 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -60.38 -46.9 88.31 Favored 'General case' 0 C--O 1.205 -1.268 0 C-N-CA 120.009 -0.676 . . . . 25.0 112.558 177.172 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -59.24 -47.17 86.33 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 122.059 -0.4 . . . . 25.0 110.505 -178.63 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -65.67 -42.79 90.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.382 0.611 . . . . 25.0 111.224 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.59 -48.01 83.67 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.633 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.9 tpp -67.1 -39.7 86.77 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -174.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.65 -42.03 91.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.395 0.617 . . . . 25.0 110.066 177.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -70.63 -43.49 69.14 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.237 -178.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.07 -39.51 86.32 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.097 0.475 . . . . 25.0 110.368 178.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -58.44 -41.73 85.74 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 179.303 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -68.53 -33.51 74.24 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.835 -0.746 . . . . 25.0 111.383 179.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 80.5 t -74.33 -42.54 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.588 -0.695 . . . . 25.0 111.146 -178.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -68.81 -30.43 68.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 177.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.85 -42.67 80.98 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.22 90.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.371 0.605 . . . . 25.0 109.89 -178.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -64.56 -39.12 93.18 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.353 -0.385 . . . . 25.0 111.211 175.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.09 -39.09 86.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.035 0.445 . . . . 25.0 110.118 178.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -64.58 -37.11 86.45 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.386 -0.821 . . . . 25.0 109.088 177.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.42 -26.31 64.56 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 119.685 -0.198 . . . . 25.0 111.269 178.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.88 -24.99 55.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.688 0.756 . . . . 25.0 110.733 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.3 -57.73 2.74 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 116.208 -0.451 . . . . 25.0 111.884 -176.635 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 45.44 30.88 0.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 -174.206 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -141.3 16.58 2.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 122.839 1.304 . . . . 25.0 110.606 -173.465 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -143.19 115.58 8.52 Favored 'General case' 0 C--O 1.202 -1.427 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 -175.706 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 123.682 1.705 . . . . 25.0 111.523 -179.338 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 CA-C-O 122.851 1.251 . . . . 25.0 115.384 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 155.62 29.78 Favored 'General case' 0 CA--C 1.551 1.004 0 O-C-N 121.173 -1.193 . . . . 25.0 108.839 179.859 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.49 161.6 37.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 176.209 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -78.68 138.83 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.919 0.866 . . . . 25.0 110.38 -177.013 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.93 146.53 54.84 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.191 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.23 67.07 3.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.361 0.601 . . . . 25.0 109.893 176.663 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -74.69 89.57 2.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.924 0.89 . . . . 25.0 111.52 -176.501 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 86.6 p -146.2 169.55 18.54 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 114.694 -1.139 . . . . 25.0 108.97 -179.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.58 144.34 49.24 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 178.241 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -145.49 69.55 1.23 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.019 0.372 . . . . 25.0 110.416 179.123 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 23.8 t -117.95 83.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 N-CA-C 107.548 -1.279 . . . . 25.0 107.548 178.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.2 141.46 47.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 105.279 -2.119 . . . . 25.0 105.279 174.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 76.7 mtm -128.93 156.24 44.04 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 103.011 -2.959 . . . . 25.0 103.011 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.49 148.6 17.24 Favored Glycine 0 C--O 1.209 -1.467 0 N-CA-C 110.435 -1.066 . . . . 25.0 110.435 -176.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -74.44 -27.13 60.46 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.66 0.271 . . . . 25.0 111.285 -175.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 17.9 p 43.64 41.18 3.36 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.07 1.508 . . . . 25.0 115.07 177.591 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 45.2 t -68.77 128.43 32.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.775 -0.578 . . . . 25.0 109.795 -178.861 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.28 114.28 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.582 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.278 27.0 tt0 95.02 -55.75 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.452 0 N-CA-C 119.37 3.1 . . . . 25.0 119.37 179.153 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.6 19.07 1.35 Allowed 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 116.727 -1.715 . . . . 25.0 115.241 -175.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.45 144.82 91.8 Favored Pre-proline 0 C--O 1.219 -0.524 0 CA-C-O 121.408 0.623 . . . . 25.0 110.918 -175.173 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.73 147.14 62.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 114.841 -2.973 . . . . 25.0 113.608 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 76.2 mt -93.7 152.67 18.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 113.774 -1.557 . . . . 25.0 107.548 174.171 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.255 84.8 tttt 76.8 -94.47 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 116.715 -1.612 . . . . 25.0 109.642 -178.697 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -69.54 142.98 50.42 Favored 'Trans proline' 0 C--N 1.364 1.363 1 C-N-CA 107.952 -7.566 . . . . 25.0 111.131 172.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 15.1 p -98.63 105.98 18.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.076 -0.39 . . . . 25.0 111.641 -170.692 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 81.6 p 58.24 173.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 115.408 1.633 . . . . 25.0 115.408 177.882 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -128.84 75.48 80.04 Favored Pre-proline 0 N--CA 1.468 0.427 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 178.547 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.39 151.18 22.74 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 N-CA-C 115.333 1.243 . . . . 25.0 115.333 -173.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 81.0 p -90.43 -3.87 57.39 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 175.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 17.1 m 64.48 -177.87 0.17 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.784 1.031 . . . . 25.0 113.784 -178.304 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.66 -178.16 30.99 Favored Glycine 0 C--O 1.239 0.441 0 CA-C-O 118.625 -1.097 . . . . 25.0 111.058 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -69.92 146.4 59.07 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 CA-C-N 120.355 2.078 . . . . 25.0 113.406 -177.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -78.64 172.31 15.35 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 CA-C-O 121.403 0.501 . . . . 25.0 111.664 176.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -122.39 156.23 16.99 Favored Glycine 0 C--O 1.223 -0.542 0 N-CA-C 109.765 -1.334 . . . . 25.0 109.765 174.706 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -161.47 175.69 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 178.585 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -130.78 174.14 10.24 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 104.974 -2.232 . . . . 25.0 104.974 176.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -168.82 178.65 42.07 Favored Glycine 0 C--N 1.314 -0.675 0 C-N-CA 119.613 -1.28 . . . . 25.0 112.552 -178.23 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.11 177.54 54.17 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 112.227 -0.349 . . . . 25.0 112.227 179.656 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 44.8 t -128.07 104.5 7.81 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-O 121.097 0.475 . . . . 25.0 110.774 -177.102 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 45.11 1.25 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 66.0 mt -128.04 137.68 52.27 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -176.109 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 19.9 m -144.48 146.18 32.29 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.91 137.7 54.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 -176.059 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 44.6 mm -69.39 120.45 17.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -178.373 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.7 t -113.52 -5.23 13.46 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 122.584 1.183 . . . . 25.0 109.307 175.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -87.8 34.66 0.72 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 113.945 -1.48 . . . . 25.0 110.355 -179.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -79.24 -18.52 74.06 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 119.993 -1.099 . . . . 25.0 114.154 -178.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 13.0 p -157.17 148.4 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 -177.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -161.18 40.07 0.42 Allowed Glycine 0 C--O 1.215 -1.08 0 CA-C-O 121.509 0.505 . . . . 25.0 111.988 178.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.32 -45.31 88.44 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -171.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 25.3 tp 58.97 113.91 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 118.238 2.681 . . . . 25.0 118.238 178.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 28.8 m -110.44 91.24 3.58 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 120.925 -1.109 . . . . 25.0 108.996 174.126 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 5.3 p -86.54 1.82 5.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.959 0 CA-C-O 122.082 0.944 . . . . 25.0 109.425 178.356 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.08 164.88 33.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -178.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -90.63 106.18 14.45 Favored Pre-proline 0 C--O 1.245 0.865 0 N-CA-C 103.977 -2.601 . . . . 25.0 103.977 174.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.53 -19.52 21.61 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 115.933 -2.245 . . . . 25.0 113.26 -172.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.01 -38.54 91.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.503 1.144 . . . . 25.0 110.978 -178.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.51 -39.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.12 79.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 25.0 112.117 -177.472 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -66.01 -42.78 89.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.178 -0.464 . . . . 25.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -65.99 -36.36 83.08 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.237 -0.914 . . . . 25.0 109.608 178.304 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -179.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 20.6 p -73.78 -34.36 64.63 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.013 -1.055 . . . . 25.0 110.394 -179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -55.77 -46.26 77.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.429 0.455 . . . . 25.0 110.308 -179.263 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -46.49 89.96 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 122.02 0.914 . . . . 25.0 111.723 176.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.8 t -59.87 -42.29 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.32 -0.862 . . . . 25.0 112.195 -175.195 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.23 -42.68 99.28 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.125 -0.984 . . . . 25.0 109.194 179.207 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.92 -40.18 94.65 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 118.569 0.622 . . . . 25.0 112.172 179.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -58.35 -45.43 88.21 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 122.12 -0.363 . . . . 25.0 110.305 178.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.56 -27.95 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.08 -39.8 86.89 Favored 'General case' 0 C--O 1.203 -1.391 0 O-C-N 121.427 -0.796 . . . . 25.0 109.306 175.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.83 -24.08 62.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -179.374 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.92 -20.43 65.85 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.263 -0.273 . . . . 25.0 110.845 174.524 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -88.7 -7.8 55.67 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-O 121.483 0.659 . . . . 25.0 111.793 -175.822 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 70.59 -160.88 53.74 Favored Glycine 0 C--O 1.224 -0.526 0 N-CA-C 110.815 -0.914 . . . . 25.0 110.815 178.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -106.57 18.63 37.76 Favored Glycine 0 C--O 1.204 -1.721 0 CA-C-N 115.503 -0.349 . . . . 25.0 112.69 -177.362 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 11.0 t 51.23 75.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 N-CA-C 114.526 1.306 . . . . 25.0 114.526 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -119.76 92.17 3.72 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.447 -0.783 . . . . 25.0 110.506 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -178.125 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpp . . . . . 0 N--CA 1.503 2.207 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 50.43 50.45 18.76 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.27 1.428 . . . . 25.0 112.257 -178.081 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -46.37 -37.83 8.05 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.608 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -61.0 -31.96 71.55 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -177.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -62.25 -45.01 95.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 -175.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -64.77 -32.45 74.14 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.641 . . . . 25.0 110.771 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.57 -52.62 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 mtp -59.89 -33.76 72.28 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.325 -0.55 . . . . 25.0 112.088 -178.597 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.5 81.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.825 0.284 . . . . 25.0 111.22 176.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.39 -38.69 71.48 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.235 1.017 . . . . 25.0 110.542 -178.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.42 -38.95 92.82 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.261 177.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -62.38 -37.52 86.08 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.777 0.673 . . . . 25.0 111.422 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -61.96 -51.52 67.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.318 0.386 . . . . 25.0 111.109 -176.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -14.39 61.45 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -117.1 12.2 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.211 -0.931 . . . . 25.0 111.335 -177.701 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -57.27 12.95 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.359 0.599 . . . . 25.0 109.728 -176.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.0 -29.55 40.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 O-C-N 121.827 -0.546 . . . . 25.0 110.017 -177.651 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 121.445 -0.785 . . . . 25.0 112.468 -177.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -70.88 -36.16 72.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.35 -43.48 90.71 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-O 119.232 -0.413 . . . . 25.0 110.119 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.31 -40.15 93.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.922 0.783 . . . . 25.0 111.569 179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -67.2 -44.41 79.68 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.56 178.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.28 -36.2 79.38 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.812 -0.555 . . . . 25.0 110.858 178.511 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.8 65.77 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.111 0.481 . . . . 25.0 111.671 178.726 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -74.44 -35.6 63.36 Favored 'General case' 0 C--O 1.205 -1.271 0 O-C-N 121.111 -0.993 . . . . 25.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -85.36 -36.38 20.78 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -177.646 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -134.63 68.25 71.92 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.259 -177.267 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -63.9 143.32 85.26 Favored 'Trans proline' 0 CA--C 1.513 -0.534 0 C-N-CA 117.201 -1.399 . . . . 25.0 112.137 -177.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.28 -28.06 0.83 Allowed Glycine 0 C--N 1.322 -0.215 0 N-CA-C 116.851 1.501 . . . . 25.0 116.851 -177.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -89.98 86.05 6.5 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 119.233 1.517 . . . . 25.0 110.967 -171.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -56.59 -36.17 69.07 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -174.538 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.45 -43.69 89.58 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.413 -0.805 . . . . 25.0 110.723 178.396 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.53 -34.03 76.27 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.395 0.617 . . . . 25.0 109.558 -179.429 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.49 -46.92 87.99 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.555 -0.748 . . . . 25.0 110.529 176.007 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -65.78 -36.65 84.13 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 121.851 0.834 . . . . 25.0 111.758 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.1 mt -63.04 -38.17 81.33 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 O-C-N 121.412 -0.805 . . . . 25.0 111.485 177.477 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 tp -71.83 -40.79 68.85 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.241 -0.984 . . . . 25.0 110.44 176.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.45 -39.99 87.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 -177.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -66.77 -34.01 76.89 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.751 -0.593 . . . . 25.0 112.225 -178.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -66.78 -41.49 87.58 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.467 1.127 . . . . 25.0 108.673 175.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mp -68.25 -34.04 75.49 Favored 'General case' 0 C--O 1.206 -1.208 0 CA-C-N 115.408 -0.814 . . . . 25.0 110.263 -177.303 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.02 -45.47 88.79 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.194 0.452 . . . . 25.0 110.957 176.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.96 -51.56 57.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.949 0.88 . . . . 25.0 110.284 -178.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -64.38 -36.09 83.03 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 179.049 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.7 -44.07 97.0 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.124 -0.465 . . . . 25.0 109.891 173.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -62.26 -47.13 85.7 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.226 -0.59 . . . . 25.0 111.458 176.394 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -58.62 -53.12 61.89 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.592 -0.522 . . . . 25.0 109.592 -177.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.58 -42.83 98.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.501 0.191 . . . . 25.0 111.068 -179.367 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.23 -50.15 73.78 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.991 -0.443 . . . . 25.0 110.398 179.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.9 tpp -69.38 -38.72 78.14 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.855 -0.738 . . . . 25.0 111.999 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -62.39 -41.07 98.36 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 121.968 0.89 . . . . 25.0 108.726 -179.402 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -75.36 -40.9 57.61 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.165 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.77 -40.64 88.9 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -61.87 -38.23 87.49 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 115.241 -0.89 . . . . 25.0 109.842 -177.742 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -73.87 -31.2 63.03 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 121.894 -0.503 . . . . 25.0 112.031 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.67 -47.43 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.654 178.738 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -65.62 -34.39 78.1 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 178.663 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.4 tp -66.46 -35.64 80.78 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.976 -0.557 . . . . 25.0 111.768 175.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.51 95.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 123.225 1.488 . . . . 25.0 109.528 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -68.64 -38.0 80.15 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.915 -1.039 . . . . 25.0 110.668 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -65.0 -37.55 88.02 Favored 'General case' 0 C--O 1.203 -1.38 0 CA-C-O 121.285 0.564 . . . . 25.0 111.643 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.47 -35.78 75.94 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.51 -0.744 . . . . 25.0 110.279 178.006 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.43 -25.48 65.04 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 120.702 0.286 . . . . 25.0 111.198 177.342 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -40.05 32.84 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 121.761 0.791 . . . . 25.0 110.539 177.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.71 -47.17 22.74 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.073 1.138 . . . . 25.0 114.073 -176.429 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 46.7 34.01 2.34 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 114.696 -1.138 . . . . 25.0 113.326 -175.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -105.7 14.59 28.11 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -175.33 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 41.82 57.25 3.19 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.647 1.213 . . . . 25.0 114.187 -179.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 123.564 1.649 . . . . 25.0 111.366 176.421 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 CA-C-O 122.906 1.281 . . . . 25.0 114.839 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.75 151.99 51.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 178.707 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -139.05 155.66 47.78 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 105.282 -2.118 . . . . 25.0 105.282 176.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 m -142.2 155.23 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 -178.158 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -131.46 135.96 47.55 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 -179.176 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.11 163.07 40.09 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 107.354 -1.351 . . . . 25.0 107.354 178.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -119.69 112.44 19.28 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.624 -1.991 . . . . 25.0 105.624 177.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 80.7 p -124.73 151.71 44.72 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 123.829 0.706 . . . . 25.0 110.324 -179.4 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -129.91 65.64 1.49 Allowed 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -179.141 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -146.52 99.8 3.26 Favored 'General case' 0 C--O 1.206 -1.187 0 C-N-CA 122.9 0.48 . . . . 25.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 m -91.63 34.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 122.042 0.925 . . . . 25.0 110.054 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -137.24 36.99 2.52 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 26.6 mmt -129.36 33.94 4.45 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.265 0.555 . . . . 25.0 110.846 -176.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.63 -1.5 65.95 Favored Glycine 0 C--N 1.343 0.93 0 CA-C-N 115.733 -0.667 . . . . 25.0 114.246 -177.251 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -92.12 32.22 1.18 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.923 0.868 . . . . 25.0 111.633 -174.008 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -86.67 27.3 0.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 121.413 0.625 . . . . 25.0 111.061 -178.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 37.4 t -76.12 117.02 20.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 113.999 1.111 . . . . 25.0 113.999 -172.348 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.81 127.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 172.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -123.68 9.9 0.06 OUTLIER Pre-proline 0 CA--C 1.571 1.766 0 N-CA-C 118.022 2.601 . . . . 25.0 118.022 176.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -80.62 59.22 7.37 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 114.428 -3.248 . . . . 25.0 112.753 173.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.34 144.47 98.47 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-N 115.327 -0.851 . . . . 25.0 112.034 -175.427 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.19 143.94 61.0 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 117.391 -1.273 . . . . 25.0 113.077 178.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.2 mt -88.75 137.79 32.0 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.034 -1.041 . . . . 25.0 110.812 -179.04 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 42.7 tttp 103.75 -56.57 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.524 0 C-N-CA 127.656 2.382 . . . . 25.0 114.383 -177.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.89 146.68 33.45 Favored 'Trans proline' 0 C--N 1.362 1.25 1 C-N-CA 113.054 -4.164 . . . . 25.0 111.629 176.344 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.18 6.62 6.47 Favored 'General case' 0 C--O 1.201 -1.476 0 CA-C-O 121.719 0.771 . . . . 25.0 112.324 -175.349 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.0 t 60.74 37.48 18.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.309 1.443 . . . . 25.0 114.833 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -114.26 91.94 25.47 Favored Pre-proline 0 C--O 1.249 1.028 0 CA-C-O 121.766 0.793 . . . . 25.0 112.056 -179.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.94 124.26 9.01 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.55 -2.5 . . . . 25.0 112.822 175.402 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 13.3 t -118.5 9.67 12.39 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.573 0.701 . . . . 25.0 112.192 -175.406 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -75.75 154.76 36.14 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.268 -0.895 . . . . 25.0 111.249 179.833 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.43 177.44 37.74 Favored Glycine 0 C--O 1.241 0.58 0 CA-C-O 119.128 -0.818 . . . . 25.0 112.107 177.374 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -76.95 158.39 34.54 Favored 'Trans proline' 0 C--O 1.24 0.585 0 CA-C-N 118.794 1.297 . . . . 25.0 113.368 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.7 161.36 36.81 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 116.886 -1.609 . . . . 25.0 112.882 178.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.45 -171.96 23.0 Favored Glycine 0 N--CA 1.466 0.668 0 C-N-CA 120.012 -1.089 . . . . 25.0 111.494 178.25 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.95 141.62 28.43 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 178.721 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -76.28 156.37 33.52 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 123.779 0.675 . . . . 25.0 109.658 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -140.88 -173.49 13.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 105.989 -2.845 . . . . 25.0 105.989 176.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.17 -173.43 45.22 Favored Glycine 0 CA--C 1.506 -0.498 0 CA-C-N 119.183 1.492 . . . . 25.0 112.919 -179.204 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 16.9 m -110.73 88.62 2.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.698 0.799 . . . . 25.0 111.3 -179.555 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.94 56.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.375 0.67 . . . . 25.0 111.236 -177.387 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.77 162.32 35.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.475 -0.784 . . . . 25.0 111.667 -177.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 32.5 t -154.73 161.01 41.7 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 102.958 -2.979 . . . . 25.0 102.958 176.606 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 8.2 p -124.64 152.28 30.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 106.689 -1.597 . . . . 25.0 106.689 -178.163 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 50.0 mm -85.78 124.85 40.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 9.7 t -119.89 4.74 10.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 49.18 29.13 2.45 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 116.615 2.08 . . . . 25.0 116.615 179.359 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -106.02 47.61 1.04 Allowed Glycine 0 C--O 1.223 -0.593 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.786 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 31.9 t -130.29 116.95 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 121.24 0.543 . . . . 25.0 112.089 -174.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -167.6 51.62 0.24 Allowed Glycine 0 C--O 1.238 0.391 0 CA-C-N 115.921 -0.581 . . . . 25.0 112.281 178.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -123.79 164.26 19.54 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -175.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 4.8 tt -126.67 132.55 51.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.721 1.263 . . . . 25.0 110.237 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . 0.42 ' C ' ' H ' ' B' ' 155' ' ' ILE . 33.9 m 52.3 60.41 3.84 Favored 'General case' 0 C--O 1.207 -1.154 0 N-CA-C 115.491 1.663 . . . . 25.0 115.491 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.44 25.45 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 122.41 1.1 . . . . 25.0 112.756 175.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' B' ' 153' ' ' SER . 35.0 pt -140.26 165.04 21.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 179.753 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.2 102.91 4.21 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 106.332 -1.729 . . . . 25.0 106.332 168.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -69.92 -19.78 34.92 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 116.831 -1.646 . . . . 25.0 114.058 -170.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -69.63 -42.91 73.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 179.535 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.4 -39.69 81.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 107.741 -1.207 . . . . 25.0 107.741 179.167 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.6 77.99 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 118.584 -0.722 . . . . 25.0 111.693 -178.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -66.9 -43.92 82.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.727 0.775 . . . . 25.0 111.244 175.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.22 -40.64 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.386 -0.821 . . . . 25.0 109.2 177.288 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.93 89.24 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 178.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 18.7 p -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.888 -1.133 . . . . 25.0 109.462 -178.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.4 -46.99 86.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 177.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -61.24 -44.11 97.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.952 0.783 . . . . 25.0 112.888 -177.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.75 -40.58 86.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.27 -179.15 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.86 -40.27 91.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.84 -43.55 88.16 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 119.518 -0.873 . . . . 25.0 111.478 178.392 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.64 -49.84 75.93 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.778 -0.576 . . . . 25.0 112.393 178.079 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.91 -26.64 39.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 118.366 0.53 . . . . 25.0 109.668 -176.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -70.64 -42.66 70.57 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-N 118.539 0.609 . . . . 25.0 109.387 175.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.96 -16.32 60.64 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.57 -16.13 64.02 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.939 -1.101 . . . . 25.0 108.622 172.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -100.13 4.16 44.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.65 -153.28 52.5 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 107.044 -2.422 . . . . 25.0 107.044 -174.186 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -87.86 5.86 84.3 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.218 -0.768 . . . . 25.0 114.523 -177.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.3 -16.65 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.557 1.179 . . . . 25.0 112.07 -175.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -134.94 80.21 1.83 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.046 -0.979 . . . . 25.0 109.313 -177.609 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.211 -0.937 0 C-N-CA 125.216 1.407 . . . . 25.0 113.055 -178.126 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtt . . . . . 0 C--O 1.203 -1.353 0 N-CA-C 115.032 1.493 . . . . 25.0 115.032 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 55.45 28.13 11.17 Favored 'General case' 0 C--O 1.191 -1.994 0 C-N-CA 126.332 1.853 . . . . 25.0 111.038 -176.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -56.63 -19.19 14.96 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 114.707 1.373 . . . . 25.0 114.707 -176.19 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -69.44 -29.22 66.87 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 175.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -63.11 -43.18 99.16 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.494 -0.928 . . . . 25.0 108.494 -177.707 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.34 -50.51 72.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 120.943 0.401 . . . . 25.0 110.145 179.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 mtp -64.15 -32.95 74.72 Favored 'General case' 0 C--O 1.205 -1.269 0 O-C-N 121.885 -0.509 . . . . 25.0 111.986 -178.008 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.85 84.68 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.265 -0.897 . . . . 25.0 112.35 174.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.44 68.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.882 0.849 . . . . 25.0 109.752 -177.617 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.84 -36.27 81.97 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 115.52 -0.764 . . . . 25.0 110.145 176.177 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -64.1 -37.83 88.87 Favored 'General case' 0 C--O 1.204 -1.339 0 N-CA-C 109.762 -0.458 . . . . 25.0 109.762 177.328 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -61.8 -49.87 74.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.452 -0.34 . . . . 25.0 110.499 -179.221 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -19.14 58.47 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.027 1.492 . . . . 25.0 115.027 -175.889 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 64.6 p -112.59 9.81 19.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 119.638 -0.825 . . . . 25.0 111.018 -178.014 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.31 -59.58 3.57 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -177.102 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -70.33 -34.5 58.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.244 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -66.24 -41.39 90.09 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 -174.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -77.4 -34.54 54.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.283 -0.871 . . . . 25.0 110.123 178.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.08 -43.25 99.23 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 123.772 0.67 . . . . 25.0 111.575 177.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.78 -41.25 97.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.691 0.281 . . . . 25.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -70.97 -36.02 72.36 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 121.605 -0.684 . . . . 25.0 110.728 179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -66.32 -34.65 78.46 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 121.317 0.579 . . . . 25.0 111.741 176.499 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.03 62.18 Favored 'General case' 0 C--O 1.208 -1.123 0 CA-C-N 115.574 -0.739 . . . . 25.0 110.429 175.594 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -64.44 -45.2 88.53 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 118.413 0.552 . . . . 25.0 109.955 173.803 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -81.98 -35.21 29.19 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 -174.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.17 69.61 69.49 Favored Pre-proline 0 C--O 1.249 1.05 0 O-C-N 123.814 0.696 . . . . 25.0 111.395 179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.27 144.83 95.91 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 115.964 -2.224 . . . . 25.0 111.592 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.78 -30.32 1.51 Allowed Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 117.353 1.701 . . . . 25.0 117.353 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -94.54 90.74 6.29 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 118.513 1.157 . . . . 25.0 110.876 -172.123 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -60.32 -32.79 71.56 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.432 0.457 . . . . 25.0 112.113 -175.231 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.99 -44.23 80.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.396 -0.521 . . . . 25.0 109.611 -178.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.99 -33.95 72.72 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.219 -0.926 . . . . 25.0 110.218 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -60.71 -45.48 94.05 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.815 -1.084 . . . . 25.0 109.557 176.708 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.99 -37.21 75.65 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -178.281 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.24 -42.77 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.009 0.818 . . . . 25.0 109.196 176.426 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 23' ' ' ALA . 53.3 tp -69.3 -40.2 77.82 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.013 -0.675 . . . . 25.0 111.06 178.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -40.84 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 177.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -49.32 72.03 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.205 -0.934 . . . . 25.0 111.163 176.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -64.64 -40.54 95.63 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.54 0.686 . . . . 25.0 110.102 -178.14 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.47 -40.01 77.38 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.89 -34.18 76.16 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.657 0.662 . . . . 25.0 111.622 176.424 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.45 -53.82 46.11 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.375 -0.828 . . . . 25.0 111.407 173.463 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.44 -33.38 75.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.395 -0.522 . . . . 25.0 110.968 -178.696 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.05 -48.48 81.52 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 176.287 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.98 -45.04 87.39 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 111.751 0.278 . . . . 25.0 111.751 179.143 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.01 -50.14 69.66 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 119.422 -0.323 . . . . 25.0 110.769 -178.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -66.53 -40.25 89.04 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 118.171 0.442 . . . . 25.0 109.917 -178.563 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -59.7 -50.51 73.56 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.302 . . . . 25.0 111.059 178.272 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.0 tpp -68.68 -41.37 79.33 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.078 -0.649 . . . . 25.0 112.013 -175.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.94 -44.33 91.37 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -69.85 -45.62 67.36 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.541 -0.54 . . . . 25.0 109.541 -177.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.61 -40.61 79.53 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.591 -0.693 . . . . 25.0 111.022 177.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -59.75 -41.99 92.22 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.96 -30.0 69.18 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 118.369 0.531 . . . . 25.0 112.01 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -70.39 -49.47 53.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 109.485 -0.561 . . . . 25.0 109.485 177.039 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -72.2 -28.96 63.53 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.909 -1.119 . . . . 25.0 110.238 -177.588 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -64.53 -44.69 90.06 Favored 'General case' 0 C--O 1.19 -2.058 0 CA-C-N 115.494 -0.775 . . . . 25.0 109.253 174.353 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.25 78.55 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 121.114 -0.991 . . . . 25.0 111.908 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -71.26 -31.12 67.14 Favored 'General case' 0 C--O 1.208 -1.093 0 C-N-CA 120.699 -0.4 . . . . 25.0 110.657 177.119 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -69.47 -36.4 76.53 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.621 -0.674 . . . . 25.0 110.861 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.83 -39.03 92.92 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.806 -1.183 . . . . 25.0 109.163 175.305 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.57 65.74 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 115.029 -0.987 . . . . 25.0 112.253 178.491 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.24 -30.26 25.83 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 122.356 -0.215 . . . . 25.0 110.556 176.841 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 -54.27 6.62 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 113.949 1.092 . . . . 25.0 113.949 -177.131 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 42.38 41.15 2.1 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -131.76 25.03 4.7 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.342 1.979 . . . . 25.0 116.342 -177.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 60.86 42.54 13.0 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 25.0 110.856 179.658 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 123.568 1.652 . . . . 25.0 110.853 177.223 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.954 2.419 . . . . 25.0 113.621 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.04 13.17 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 177.829 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.31 141.37 55.84 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.139 -0.482 . . . . 25.0 109.892 177.084 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.74 157.65 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.518 -0.549 . . . . 25.0 109.518 -178.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -98.85 142.58 30.19 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.003 -0.998 . . . . 25.0 110.5 178.656 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.65 86.49 2.19 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 178.2 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.57 154.67 39.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.136 -0.938 . . . . 25.0 108.972 -178.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 11.7 p -147.3 161.86 40.12 Favored 'General case' 0 C--N 1.313 -1.009 0 O-C-N 123.685 0.616 . . . . 25.0 110.396 178.757 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.92 131.88 35.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.464 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.58 139.15 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 175.528 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.77 99.47 4.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 104.771 -2.307 . . . . 25.0 104.771 174.034 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.44 121.12 42.16 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.967 -1.494 . . . . 25.0 106.967 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 3.0 mtm 66.09 168.19 0.21 Allowed 'General case' 0 N--CA 1.48 1.056 0 O-C-N 125.144 1.527 . . . . 25.0 111.677 -178.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.37 7.37 86.98 Favored Glycine 0 CA--C 1.527 0.819 0 O-C-N 121.143 -0.973 . . . . 25.0 112.321 -177.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -105.53 14.21 28.91 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 125.463 1.505 . . . . 25.0 111.191 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 27.4 p -81.86 50.06 1.47 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.453 -0.794 . . . . 25.0 112.264 -177.607 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.61 134.02 30.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.38 -1.282 . . . . 25.0 110.101 -177.582 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.7 p -146.91 145.96 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.649 0.738 . . . . 25.0 109.564 -178.513 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 1.4 tt0 79.36 -8.02 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.439 0 N-CA-C 120.739 3.607 . . . . 25.0 120.739 175.292 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -69.16 139.89 43.48 Favored 'Trans proline' 0 C--N 1.361 1.21 1 C-N-CA 110.781 -5.679 . . . . 25.0 111.193 174.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.35 132.99 45.69 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -177.173 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.55 -1.78 11.17 Favored 'Trans proline' 0 C--N 1.352 0.738 0 CA-C-O 121.798 0.666 . . . . 25.0 113.417 177.201 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 mt -111.47 171.47 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 -178.881 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 72.47 -98.75 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 105.145 -2.169 . . . . 25.0 105.145 -173.719 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -68.63 128.95 17.9 Favored 'Trans proline' 0 C--N 1.369 1.607 1 C-N-CA 105.753 -9.031 . . . . 25.0 111.222 165.547 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 33.8 p -77.65 130.84 37.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.726 -0.67 . . . . 25.0 111.562 -171.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -86.19 109.71 19.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.192 0.52 . . . . 25.0 109.664 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -144.5 109.17 4.86 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 105.186 -2.153 . . . . 25.0 105.186 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -76.95 144.23 23.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 114.85 -2.967 . . . . 25.0 111.593 -175.88 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.0 t -127.96 17.15 6.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.752 0.787 . . . . 25.0 110.214 179.472 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 36.9 p -90.76 168.04 12.04 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -151.65 172.82 31.05 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 120.929 -0.653 . . . . 25.0 113.755 178.78 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.97 165.9 30.95 Favored 'Trans proline' 0 CA--C 1.553 1.447 0 C-N-CA 124.824 3.682 . . . . 25.0 111.93 -179.285 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.88 167.58 26.92 Favored 'Trans proline' 0 C--O 1.24 0.591 0 N-CA-C 114.351 0.866 . . . . 25.0 114.351 -177.636 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.92 -164.62 14.19 Favored Glycine 0 C--O 1.237 0.316 0 N-CA-C 116.495 1.358 . . . . 25.0 116.495 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 17.7 m120 71.5 175.8 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.572 1.949 . . . . 25.0 109.09 -177.547 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -156.71 175.13 14.46 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 -177.797 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 172.96 -179.99 44.03 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 111.27 -0.732 . . . . 25.0 111.27 175.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 139.26 167.59 11.0 Favored Glycine 0 CA--C 1.505 -0.578 0 O-C-N 121.467 -1.019 . . . . 25.0 111.008 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 38.7 m -149.8 104.18 3.3 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.18 40.45 2.84 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 -177.447 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 81.5 mt -89.84 155.01 19.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.744 -0.835 . . . . 25.0 108.744 -172.339 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 49.0 p -146.97 144.57 29.29 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -108.21 135.25 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.88 136.04 26.77 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 CA-C-N 114.673 -1.149 . . . . 25.0 109.74 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 6.4 t -157.74 123.29 4.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 176.418 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.17 45.62 1.33 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 -175.216 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -92.62 6.95 77.64 Favored Glycine 0 C--N 1.317 -0.496 0 N-CA-C 116.28 1.272 . . . . 25.0 116.28 -175.4 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.5 p -148.94 140.64 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 178.638 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 129.95 45.18 0.17 Allowed Glycine 0 N--CA 1.468 0.803 0 N-CA-C 114.092 0.397 . . . . 25.0 114.092 179.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.57 140.61 58.89 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.563 0.697 . . . . 25.0 109.401 178.912 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 59.6 tp -148.82 136.64 20.64 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 -177.822 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 63.5 m -79.09 79.27 5.5 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.89 0.852 . . . . 25.0 112.051 -178.33 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 34.2 m -82.03 15.78 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.643 179.671 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 32.6 pt -134.03 163.94 35.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.26 104.32 6.02 Favored Pre-proline 0 C--O 1.248 0.979 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 169.472 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.38 -21.47 26.35 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 115.035 -2.843 . . . . 25.0 113.908 -175.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -68.21 -42.43 79.86 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 122.667 1.222 . . . . 25.0 111.417 -177.637 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 65.3 t -69.04 -39.05 79.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.66 -31.19 71.7 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 114.453 -1.249 . . . . 25.0 112.609 -178.347 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -62.56 -45.37 93.23 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.535 0.683 . . . . 25.0 112.004 176.252 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -71.88 -33.83 68.67 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.321 -0.862 . . . . 25.0 110.29 -177.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.24 -46.65 87.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 176.176 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 29.0 p -68.04 -30.65 69.92 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.218 -0.993 . . . . 25.0 112.468 178.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -47.36 86.65 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.38 0.425 . . . . 25.0 110.226 175.731 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.88 -37.31 84.16 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.48 -39.86 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 N-CA-C 109.05 -0.722 . . . . 25.0 109.05 178.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.3 -47.06 87.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.812 0.815 . . . . 25.0 109.135 176.113 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -48.93 77.75 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 115.318 -0.856 . . . . 25.0 111.377 -177.224 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.96 -26.56 23.33 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 O-C-N 121.711 -0.618 . . . . 25.0 110.816 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -68.15 -39.75 82.55 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 174.132 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -74.9 -22.93 58.34 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 113.761 1.022 . . . . 25.0 113.761 -178.18 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.0 -33.21 71.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 172.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -80.48 -5.55 56.78 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.598 -1.183 . . . . 25.0 111.704 -175.355 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 76.9 -57.49 3.52 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 116.354 -0.384 . . . . 25.0 113.882 -177.208 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 74.34 22.51 77.45 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 120.503 -0.856 . . . . 25.0 112.119 179.696 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.87 23.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 115.963 1.838 . . . . 25.0 115.963 -177.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 54.21 55.73 7.85 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.237 1.569 . . . . 25.0 115.237 177.484 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.202 -1.413 0 CA-C-O 124.66 2.171 . . . . 25.0 110.756 175.908 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.7 mtp . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 123.147 1.451 . . . . 25.0 112.632 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.92 -23.96 67.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.722 1.209 . . . . 25.0 112.408 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -64.65 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.148 -0.345 . . . . 25.0 110.488 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.76 -32.15 73.24 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.926 0.87 . . . . 25.0 111.672 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.59 -42.76 98.26 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.022 -173.85 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.92 -30.56 68.0 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.716 -178.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.95 -51.09 53.2 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.057 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 178.274 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mtp -60.33 -33.9 73.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.319 -0.238 . . . . 25.0 111.418 -178.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.72 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.031 -0.418 . . . . 25.0 111.445 175.196 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -38.14 70.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.768 0.795 . . . . 25.0 109.746 -176.551 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -64.2 -32.7 74.38 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.135 -0.939 . . . . 25.0 111.233 178.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -65.19 -33.13 75.28 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.699 0.624 . . . . 25.0 109.865 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.5 t -67.97 -54.8 15.87 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 118.317 0.508 . . . . 25.0 111.714 -177.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -10.59 59.54 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.573 0.953 . . . . 25.0 113.573 -174.616 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.9 p -118.89 10.22 12.21 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.982 -0.449 . . . . 25.0 111.531 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.89 -61.5 2.27 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.909 0.385 . . . . 25.0 111.141 -175.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.88 -31.84 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 O-C-N 121.373 -0.83 . . . . 25.0 111.003 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -65.81 -47.24 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.16 0.505 . . . . 25.0 112.138 -179.034 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -73.07 -33.95 65.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.25 -42.14 89.0 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 121.647 -0.658 . . . . 25.0 111.607 -179.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -71.27 -32.27 68.49 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.901 -0.5 . . . . 25.0 111.317 179.842 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.56 -44.43 70.88 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.473 -0.767 . . . . 25.0 109.601 174.612 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.1 -36.17 76.83 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.026 -0.669 . . . . 25.0 110.312 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.93 76.51 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 178.751 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -73.83 -25.35 60.04 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.588 -1.32 . . . . 25.0 110.791 178.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -85.47 -41.6 15.22 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.681 -0.691 . . . . 25.0 112.069 177.465 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -132.29 67.69 79.08 Favored Pre-proline 0 C--N 1.311 -1.1 0 C-N-CA 123.702 0.801 . . . . 25.0 111.693 -177.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.83 130.79 25.53 Favored 'Trans proline' 0 CA--C 1.506 -0.877 0 C-N-CA 117.781 -1.013 . . . . 25.0 114.17 -176.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.16 -22.03 14.13 Favored Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.77 -1.105 . . . . 25.0 114.889 -178.009 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.98 86.92 7.35 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 118.416 1.108 . . . . 25.0 111.278 -173.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -50.58 -46.73 57.93 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -64.83 -46.92 79.91 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.39 -0.819 . . . . 25.0 111.948 -177.723 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -65.4 -33.46 76.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 118.139 0.427 . . . . 25.0 110.103 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -66.02 -44.57 84.35 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.785 -0.643 . . . . 25.0 110.574 178.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -64.19 -39.0 93.07 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.869 0.366 . . . . 25.0 110.275 179.358 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.74 86.79 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 177.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.0 tp -64.0 -37.7 88.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 118.701 0.682 . . . . 25.0 110.175 -179.156 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.95 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.358 -0.839 . . . . 25.0 109.887 178.009 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -60.31 -45.66 92.6 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 121.419 -0.8 . . . . 25.0 110.678 177.112 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.15 -44.37 96.76 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.547 0.689 . . . . 25.0 109.43 179.161 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.74 -43.48 96.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 119.145 -0.455 . . . . 25.0 112.127 -179.677 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -72.18 -33.36 67.62 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.422 0.555 . . . . 25.0 112.196 -176.144 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.71 -51.86 63.13 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 177.225 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.61 -35.73 80.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.672 -178.344 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -60.58 -46.93 88.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.529 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.34 -47.87 83.77 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 176.148 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.82 -45.87 87.63 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.89 -0.724 . . . . 25.0 111.13 -177.102 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -62.6 -40.63 97.53 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 178.722 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -63.84 -45.6 88.82 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.748 -0.595 . . . . 25.0 110.936 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 tpp -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 -174.459 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.7 -45.82 88.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 177.534 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -67.4 -43.53 81.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.246 -0.284 . . . . 25.0 110.586 -178.074 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.55 -39.63 94.11 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 -177.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.23 -42.74 99.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -179.597 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -64.4 -30.42 71.46 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 177.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.23 -46.17 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.344 0.974 . . . . 25.0 111.444 -179.475 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.332 0.586 . . . . 25.0 109.879 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.21 -43.81 85.67 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-N 115.559 -0.746 . . . . 25.0 110.01 174.349 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.77 77.8 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 118.607 0.64 . . . . 25.0 110.837 -178.88 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.67 -35.17 65.19 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.161 -179.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -45.47 89.48 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 175.479 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -65.93 -33.19 75.26 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 -175.718 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.43 -26.97 63.91 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.814 -0.175 . . . . 25.0 111.427 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.18 -27.15 53.53 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.313 0.578 . . . . 25.0 110.017 177.513 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.47 -59.81 1.92 Allowed 'General case' 0 C--O 1.212 -0.873 0 O-C-N 121.858 -0.527 . . . . 25.0 112.317 -175.736 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 50.22 27.62 2.72 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.61 1.564 . . . . 25.0 112.266 -174.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.04 90.96 3.18 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 123.482 0.713 . . . . 25.0 110.228 -172.61 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 54.52 79.57 0.14 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.811 1.767 . . . . 25.0 113.04 179.724 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--O 1.204 -1.312 0 CA-C-O 125.979 2.799 . . . . 25.0 112.291 -179.788 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.81 0 CA-C-O 122.691 1.162 . . . . 25.0 113.717 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.98 -39.66 1.2 Allowed 'General case' 0 C--N 1.347 0.459 0 CA-C-N 113.101 -1.549 . . . . 25.0 111.808 179.442 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 4.8 tpp 63.48 -169.27 0.19 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 123.991 0.807 . . . . 25.0 111.541 -176.172 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 11.4 p -146.13 141.06 21.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 177.229 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -126.62 115.6 19.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 177.535 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.61 129.61 14.42 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 179.168 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -151.72 27.2 0.64 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 122.424 1.107 . . . . 25.0 112.062 -177.82 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 59.6 p -79.24 148.89 32.03 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.677 -1.231 . . . . 25.0 107.677 177.436 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 13.6 tp -76.18 4.93 7.65 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.816 -0.553 . . . . 25.0 112.231 -177.841 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.37 51.75 Favored 'General case' 0 C--O 1.21 -1.011 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 178.755 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 t 34.62 59.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 116.222 1.934 . . . . 25.0 116.222 178.062 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . 51.88 65.56 1.46 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.011 1.856 . . . . 25.0 116.011 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 166.27 20.29 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.301 -0.409 . . . . 25.0 110.545 177.45 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.0 -89.95 1.62 Allowed Glycine 0 N--CA 1.471 0.985 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -82.94 44.45 0.93 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.794 0.33 . . . . 25.0 111.764 -176.399 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.7 p -96.13 47.4 1.09 Allowed 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 121.996 -0.44 . . . . 25.0 111.278 -177.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.5 136.07 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 105.328 -2.101 . . . . 25.0 105.328 177.753 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 m -118.28 78.35 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 113.654 0.983 . . . . 25.0 113.654 -173.383 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 90.83 -33.33 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.249 0 N-CA-C 120.574 3.546 . . . . 25.0 120.574 171.333 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.19 139.94 33.26 Favored 'Trans proline' 0 C--N 1.361 1.195 1 C-N-CA 109.942 -6.239 . . . . 25.0 113.897 -177.276 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . 31.04 72.66 0.52 Allowed Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 125.158 1.383 . . . . 25.0 112.986 -179.785 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -63.74 139.22 67.91 Favored 'Trans proline' 0 C--N 1.353 0.792 0 N-CA-C 115.13 1.165 . . . . 25.0 115.13 -175.063 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.78 170.26 22.47 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 178.841 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 67.2 -102.89 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.612 0 N-CA-C 105.588 -2.005 . . . . 25.0 105.588 -173.405 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.69 141.65 38.16 Favored 'Trans proline' 0 C--N 1.367 1.528 1 C-N-CA 107.795 -7.67 . . . . 25.0 111.205 169.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 5.46 1.28 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.42 1.267 . . . . 25.0 114.42 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 51.9 p -88.51 141.51 28.47 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.156 -0.965 . . . . 25.0 108.474 175.583 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -74.48 159.34 83.72 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 123.308 0.38 . . . . 25.0 109.977 178.534 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -76.53 90.65 1.19 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 O-C-N 122.741 0.864 . . . . 25.0 113.496 177.648 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 12.9 t -139.07 23.59 2.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.074 -0.967 . . . . 25.0 109.805 -177.649 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 23.0 t -147.68 163.79 35.57 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 179.104 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 177.87 34.96 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-O 119.167 -0.796 . . . . 25.0 112.267 -179.403 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.74 163.16 31.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 CA-C-N 119.262 1.531 . . . . 25.0 112.261 -177.46 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.03 175.33 11.0 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 117.536 -1.176 . . . . 25.0 112.677 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -149.15 162.0 28.87 Favored Glycine 0 CA--C 1.503 -0.659 0 N-CA-C 107.586 -2.205 . . . . 25.0 107.586 174.755 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -97.59 -34.98 10.76 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.002 0.901 . . . . 25.0 110.603 -178.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.4 -28.95 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.78 2.511 . . . . 25.0 117.78 176.395 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -77.38 169.64 54.88 Favored Glycine 0 C--O 1.222 -0.626 0 N-CA-C 115.324 0.889 . . . . 25.0 115.324 -177.074 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.06 167.83 38.8 Favored Glycine 0 C--O 1.226 -0.396 0 N-CA-C 108.119 -1.992 . . . . 25.0 108.119 -177.009 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 12.1 p -138.47 58.92 1.65 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 122.494 1.14 . . . . 25.0 109.065 -174.745 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.59 47.58 0.73 Allowed 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.555 -1.202 . . . . 25.0 113.21 -178.555 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 70.0 mt -135.24 162.72 31.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 25.0 109.853 -174.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 35.7 t -145.6 165.44 28.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 175.433 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.92 129.92 36.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 176.225 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.9 mp -78.55 118.14 25.23 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 178.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.8 t -106.28 -14.88 14.99 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 123.897 1.808 . . . . 25.0 111.107 -179.081 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -90.26 31.05 1.03 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 113.494 -1.685 . . . . 25.0 110.901 -178.571 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.45 34.56 3.09 Favored Glycine 0 N--CA 1.475 1.295 0 CA-C-O 119.724 -0.487 . . . . 25.0 113.569 178.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 9.8 p -141.34 154.42 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 104.715 -2.328 . . . . 25.0 104.715 -178.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.31 52.01 2.62 Favored Glycine 0 C--O 1.226 -0.38 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 -175.889 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.94 160.53 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.587 1.328 . . . . 25.0 114.587 -176.352 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 23.4 tp -146.06 130.99 18.16 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.975 -0.557 . . . . 25.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 79.6 8.64 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 176.875 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.2 p -80.78 12.15 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.525 0.73 . . . . 25.0 112.391 -173.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.9 165.57 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -178.136 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 105.2 2.67 Favored Pre-proline 0 C--O 1.252 1.191 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 171.402 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.09 -24.07 13.04 Favored 'Trans proline' 0 C--O 1.213 -0.727 0 C-N-CA 114.193 -3.405 . . . . 25.0 113.373 -173.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.92 -40.44 87.65 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 121.636 0.731 . . . . 25.0 110.605 -177.675 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 59.7 t -73.76 -35.11 42.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.711 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.38 71.93 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.672 -0.643 . . . . 25.0 111.583 179.805 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.95 -39.72 83.38 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 120.851 0.358 . . . . 25.0 111.31 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -63.08 -43.59 98.1 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.223 -1.028 . . . . 25.0 108.223 178.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.81 88.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.739 -1.118 . . . . 25.0 113.579 -177.666 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.13 -31.55 58.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.349 -0.844 . . . . 25.0 111.054 -177.372 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -65.53 -49.86 67.36 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.803 -0.359 . . . . 25.0 110.49 177.16 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.2 -40.16 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 25.0 112.403 -178.381 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.71 -39.08 81.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.869 -0.519 . . . . 25.0 111.018 178.54 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 33.0 mt -67.32 -41.14 85.78 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 118.903 -0.57 . . . . 25.0 110.435 177.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.3 -41.4 98.96 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.461 0.648 . . . . 25.0 110.488 177.462 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -60.6 -44.16 96.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.614 . . . . 25.0 111.685 -179.334 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.5 p -74.47 -32.7 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 119.74 -0.784 . . . . 25.0 110.297 179.395 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -64.03 -41.55 97.38 Favored 'General case' 0 C--O 1.209 -1.065 0 O-C-N 121.114 -0.991 . . . . 25.0 109.708 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.45 -31.76 48.16 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -174.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.37 -24.02 63.83 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.914 -0.773 . . . . 25.0 108.914 -179.422 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -69.97 -35.45 74.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.342 0.591 . . . . 25.0 112.592 175.416 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 68.89 -150.82 50.89 Favored Glycine 0 C--O 1.218 -0.855 0 C-N-CA 120.399 -0.905 . . . . 25.0 112.33 -172.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 100.14 -62.02 0.67 Allowed Glycine 0 C--O 1.205 -1.717 0 N-CA-C 114.852 0.701 . . . . 25.0 114.852 177.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.56 4.36 4.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-N 117.672 0.736 . . . . 25.0 112.064 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -121.92 107.23 12.03 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 177.103 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 124.44 2.067 . . . . 25.0 113.383 -176.506 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 C--O 1.206 -1.19 0 CA-C-O 123.976 1.845 . . . . 25.0 113.934 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -147.28 136.18 22.19 Favored 'General case' 0 CA--C 1.499 -0.997 0 O-C-N 120.327 -1.483 . . . . 25.0 107.802 175.171 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -59.88 -38.67 82.88 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.851 -0.425 . . . . 25.0 109.851 179.055 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -62.0 -34.19 75.73 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 122.075 -0.39 . . . . 25.0 111.361 177.786 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -67.13 -37.84 84.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 118.77 -1.172 . . . . 25.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.98 -33.64 74.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.987 -1.071 . . . . 25.0 110.411 176.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mm -70.87 -52.93 24.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 107.783 -1.191 . . . . 25.0 107.783 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.7 mtp -58.25 -44.6 88.38 Favored 'General case' 0 C--O 1.212 -0.905 0 O-C-N 121.978 -0.451 . . . . 25.0 109.922 -174.572 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.42 83.33 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.105 0.478 . . . . 25.0 111.58 178.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.64 71.94 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 109.408 -0.589 . . . . 25.0 109.408 -177.585 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.97 -41.31 99.51 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.363 0.601 . . . . 25.0 111.044 178.298 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.65 -32.13 73.53 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 -177.02 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -64.49 -49.23 72.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 -177.375 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -78.2 -8.02 57.81 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 -178.303 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.7 p -115.52 13.36 16.39 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.339 -0.85 . . . . 25.0 111.209 175.071 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.15 -56.37 22.68 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.559 0.537 . . . . 25.0 110.328 -175.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.6 -30.19 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.62 0.248 . . . . 25.0 110.921 -178.397 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -67.87 -44.7 76.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.392 0.615 . . . . 25.0 110.745 -177.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -69.96 -34.91 74.02 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.495 -0.753 . . . . 25.0 109.525 179.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.93 -48.87 77.08 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 122.38 0.272 . . . . 25.0 111.061 178.342 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.93 -42.09 94.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.237 -0.438 . . . . 25.0 109.843 -176.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -67.45 -40.63 85.41 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.93 -0.708 . . . . 25.0 110.891 178.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.9 -35.89 82.13 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.687 -0.633 . . . . 25.0 110.189 178.146 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.56 69.38 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.166 0.291 . . . . 25.0 110.478 179.376 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -65.16 -39.02 92.37 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 176.404 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -82.92 -40.9 19.52 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -176.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -131.51 68.31 80.95 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 116.133 -0.485 . . . . 25.0 110.042 -176.255 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.07 145.11 84.21 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 115.76 -2.36 . . . . 25.0 113.228 -177.202 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.8 -27.69 1.92 Allowed Glycine 0 C--N 1.336 0.556 0 N-CA-C 116.566 1.386 . . . . 25.0 116.566 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -90.73 92.62 8.89 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.025 0.913 . . . . 25.0 111.458 -176.208 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.48 -42.98 67.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 178.273 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.22 -54.41 37.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.187 0.518 . . . . 25.0 110.139 -176.649 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -60.31 -36.52 78.1 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.378 0.609 . . . . 25.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.95 -44.46 92.74 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.451 -0.78 . . . . 25.0 110.51 176.122 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -63.03 -40.56 98.11 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.499 -0.751 . . . . 25.0 111.907 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.79 -40.94 86.69 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 CA-C-O 120.677 0.275 . . . . 25.0 110.485 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 23' ' ' ALA . 30.1 tp -72.03 -36.38 69.63 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.422 -0.911 . . . . 25.0 110.477 178.745 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.88 -37.9 79.3 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 121.637 -0.664 . . . . 25.0 110.77 174.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -59.69 -43.97 93.84 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.486 -0.886 . . . . 25.0 111.404 176.098 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.6 -43.95 97.52 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.292 178.189 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.82 -40.99 92.36 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.954 -0.566 . . . . 25.0 110.82 -174.145 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.81 -45.81 84.63 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 120.995 -0.282 . . . . 25.0 110.469 -177.328 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.98 -51.34 62.28 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-O 121.183 0.516 . . . . 25.0 109.657 -177.587 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -63.0 -34.48 77.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.082 0.468 . . . . 25.0 111.921 -178.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.25 -46.52 90.05 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.142 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -59.8 -41.18 90.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 O-C-N 121.192 -0.943 . . . . 25.0 111.946 177.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.24 -52.78 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.884 0.74 . . . . 25.0 110.116 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.52 -38.32 89.34 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.395 -0.366 . . . . 25.0 110.841 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.74 -50.19 72.06 Favored 'General case' 0 CA--C 1.496 -1.105 0 CA-C-N 118.0 0.364 . . . . 25.0 110.839 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.5 tpp -67.68 -34.43 76.9 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 118.39 0.541 . . . . 25.0 110.64 -176.527 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.95 -46.05 86.4 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.627 -0.671 . . . . 25.0 110.634 177.59 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -42.5 66.32 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.585 -0.446 . . . . 25.0 111.055 -177.679 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.12 -38.56 83.39 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.2 -45.53 83.69 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 179.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -68.02 -34.16 75.97 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 120.918 -0.313 . . . . 25.0 111.641 -177.724 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.76 -53.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 121.632 -0.667 . . . . 25.0 109.946 178.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -70.42 -27.38 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.937 -0.305 . . . . 25.0 110.723 -177.862 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.49 -45.64 82.83 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 174.372 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.75 96.47 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 109.87 -0.418 . . . . 25.0 109.87 178.57 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -64.97 -38.83 92.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.847 0.294 . . . . 25.0 110.367 177.139 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -64.56 -41.54 96.24 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.724 0.773 . . . . 25.0 111.248 179.288 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -69.59 -35.44 75.32 Favored 'General case' 0 C--O 1.223 -0.301 0 O-C-N 121.228 -0.92 . . . . 25.0 111.056 -179.327 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.87 85.0 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.353 -0.385 . . . . 25.0 110.526 175.871 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.99 -23.12 55.25 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.99 -0.444 . . . . 25.0 111.238 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -89.82 -61.09 1.77 Allowed 'General case' 0 CA--C 1.505 -0.779 0 CA-C-O 119.236 -0.411 . . . . 25.0 112.023 -177.249 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 46.27 29.66 0.88 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.579 0.751 . . . . 25.0 111.629 -176.674 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -115.15 46.49 1.44 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 122.847 1.308 . . . . 25.0 109.024 -178.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -116.92 77.24 1.1 Allowed 'General case' 0 C--O 1.207 -1.173 0 CA-C-N 114.168 -1.378 . . . . 25.0 108.038 -177.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 . . . . . 0 C--O 1.213 -0.834 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -174.84 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.522 4.386 0 CA-C-O 125.661 2.812 . . . . 25.0 114.142 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.5 154.61 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 112.821 -1.689 . . . . 25.0 110.841 -179.147 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 26.0 ttt -135.81 142.28 44.84 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 108.62 -0.882 . . . . 25.0 108.62 176.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.52 157.84 2.92 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-O 121.623 0.725 . . . . 25.0 109.901 -178.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -137.7 152.84 49.67 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 179.291 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.26 1.48 Allowed 'General case' 0 C--O 1.212 -0.88 0 N-CA-C 113.208 0.818 . . . . 25.0 113.208 -176.512 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -75.18 166.24 23.94 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 177.546 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 56.4 p -137.79 155.52 48.94 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 174.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tt -147.3 116.3 6.86 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 -179.771 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -154.77 95.82 1.81 Allowed 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 176.245 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.64 95.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.801 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.23 82.53 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 -177.871 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 6.8 ttm 67.24 179.17 0.23 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.476 1.11 . . . . 25.0 109.526 -170.482 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.78 -175.44 32.66 Favored Glycine 0 C--N 1.332 0.317 0 N-CA-C 107.747 -2.141 . . . . 25.0 107.747 -169.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -121.58 -59.24 1.71 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 40.2 0.94 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.342 1.068 . . . . 25.0 112.709 -174.518 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.76 102.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.556 -0.715 . . . . 25.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -140.38 128.03 23.95 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 CA-C-O 119.189 -0.434 . . . . 25.0 111.651 -176.256 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.281 19.9 tt0 103.89 -51.88 0.0 OUTLIER Pre-proline 0 N--CA 1.5 2.074 1 N-CA-C 121.994 4.072 . . . . 25.0 121.994 166.731 . . . . . . . . 3 2 . 1 . 043 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -62.56 99.37 0.21 Allowed 'Trans proline' 0 CA--C 1.554 1.501 0 N-CA-C 119.125 2.702 . . . . 25.0 119.125 -173.746 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -164.37 130.22 2.15 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-N 115.514 -0.766 . . . . 25.0 109.491 171.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.32 129.83 12.41 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 115.75 -2.366 . . . . 25.0 111.079 175.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -158.48 170.21 22.71 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -174.467 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 4.8 tptp 100.54 -46.94 0.0 OUTLIER Pre-proline 0 CA--C 1.567 1.627 0 N-CA-C 120.489 3.514 . . . . 25.0 120.489 171.747 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -67.97 116.43 4.31 Favored 'Trans proline' 0 C--O 1.246 0.885 1 C-N-CA 112.834 -4.311 . . . . 25.0 112.515 -179.138 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -150.64 14.73 0.76 Allowed 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.319 1.057 . . . . 25.0 109.447 -172.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.7 p -170.86 98.22 0.22 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 -176.631 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -123.48 154.28 66.08 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 176.555 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.99 144.91 38.97 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 116.857 -1.629 . . . . 25.0 113.555 -178.341 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 15.4 t -107.01 -6.58 17.38 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 179.366 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 2.4 t 60.31 -170.35 0.14 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.583 1.153 . . . . 25.0 113.469 179.421 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -176.2 176.88 47.81 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 118.863 -0.965 . . . . 25.0 113.393 -178.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.57 159.21 22.2 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 123.626 2.884 . . . . 25.0 114.455 -176.471 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -73.74 156.89 48.57 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 118.022 -0.852 . . . . 25.0 112.988 175.809 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -123.85 -142.41 6.02 Favored Glycine 0 C--O 1.25 1.121 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.246 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 63.6 t30 76.94 148.0 0.1 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 125.825 1.65 . . . . 25.0 112.177 176.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -155.32 155.86 34.45 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 104.923 -2.251 . . . . 25.0 104.923 -177.885 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . 179.34 -171.82 43.71 Favored Glycine 0 C--O 1.246 0.87 0 N-CA-C 110.184 -1.167 . . . . 25.0 110.184 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.14 119.27 4.59 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 122.489 1.049 . . . . 25.0 111.323 179.198 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 1.9 p -153.22 88.31 1.3 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.347 0.594 . . . . 25.0 110.486 -178.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 41.9 tp -140.24 81.41 1.81 Allowed 'General case' 0 C--O 1.256 1.404 0 N-CA-C 107.665 -1.235 . . . . 25.0 107.665 179.314 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.9 147.82 49.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.95 -0.469 . . . . 25.0 110.909 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 40.8 t -159.3 155.1 26.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 104.05 -2.574 . . . . 25.0 104.05 -178.402 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 49.9 t -137.95 139.67 42.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 178.755 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 38.0 mm -106.63 126.62 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.296 -0.859 . . . . 25.0 109.411 -176.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 7.1 t -120.26 0.59 10.66 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 123.542 0.527 . . . . 25.0 111.336 178.101 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 45.31 43.2 8.07 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.227 1.566 . . . . 25.0 115.227 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.75 35.41 3.64 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 121.672 -0.642 . . . . 25.0 113.102 177.316 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 10.3 p -148.89 141.84 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 117.779 0.79 . . . . 25.0 109.057 -176.176 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -109.04 -61.72 0.53 Allowed Glycine 0 C--N 1.306 -1.087 0 O-C-N 121.849 -0.532 . . . . 25.0 112.801 -177.727 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.44 165.99 11.74 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 121.755 -0.85 . . . . 25.0 111.35 -177.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -174.3 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.245 -0.889 . . . . 25.0 108.763 175.138 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 2.9 p 48.2 54.35 10.38 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.264 1.579 . . . . 25.0 115.264 177.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 29.6 m -71.82 8.79 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.777 0 N-CA-C 115.749 1.759 . . . . 25.0 115.749 178.307 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.26 171.62 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 -177.452 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -61.93 114.66 12.07 Favored Pre-proline 0 C--O 1.244 0.811 0 CA-C-O 121.331 0.586 . . . . 25.0 109.754 -179.241 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.89 -27.45 8.62 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 116.467 -1.888 . . . . 25.0 115.138 -171.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -75.54 -42.85 51.35 Favored 'General case' 0 C--O 1.26 1.619 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -175.469 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 94.6 t -65.39 -38.38 82.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 176.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.04 -40.02 94.18 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 121.677 -0.64 . . . . 25.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.55 -45.73 74.81 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.71 -178.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.84 -41.92 96.75 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 121.836 -0.54 . . . . 25.0 110.299 178.166 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.65 82.53 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.392 -178.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 p -75.46 -32.58 60.68 Favored 'General case' 0 C--O 1.215 -0.75 0 C-N-CA 119.219 -0.993 . . . . 25.0 110.503 -179.001 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.63 -43.62 96.31 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.484 0.659 . . . . 25.0 110.002 177.429 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -64.06 -39.12 93.37 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.394 -0.816 . . . . 25.0 111.471 179.658 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.18 -38.11 73.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.385 -0.822 . . . . 25.0 109.638 178.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.33 -37.6 85.73 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 178.313 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -50.76 66.62 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 120.63 -0.428 . . . . 25.0 109.932 174.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -57.82 -45.86 85.53 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 113.442 0.905 . . . . 25.0 113.442 -176.088 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.4 p -70.22 -23.7 25.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 121.845 -0.534 . . . . 25.0 111.831 -175.281 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -64.58 -39.97 94.7 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 121.411 -0.806 . . . . 25.0 111.543 177.266 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.32 -24.89 61.38 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 124.019 0.824 . . . . 25.0 113.145 -176.986 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 74.1 mt -68.78 -11.96 60.95 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 122.11 0.957 . . . . 25.0 112.37 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -82.86 -19.88 36.65 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -174.753 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 66.25 -155.51 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 108.49 -1.844 . . . . 25.0 108.49 -172.847 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -172.94 59.85 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 C-N-CA 120.334 -0.936 . . . . 25.0 114.633 179.435 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.77 12.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 117.834 0.817 . . . . 25.0 110.557 -175.415 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.82 71.9 5.31 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 122.34 1.067 . . . . 25.0 109.421 175.081 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.206 -1.221 0 CA-C-O 123.67 1.7 . . . . 25.0 115.095 -177.611 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.508 2.468 0 CA-C-O 125.835 2.731 . . . . 25.0 114.159 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -122.36 -14.6 7.83 Favored 'General case' 0 CA--C 1.559 1.31 0 O-C-N 119.93 -1.731 . . . . 25.0 112.029 -173.665 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -61.18 -37.21 82.13 Favored 'General case' 0 C--O 1.205 -1.241 0 CA-C-N 115.064 -0.971 . . . . 25.0 112.296 -172.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.99 -32.26 72.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.288 -1.508 . . . . 25.0 110.447 -179.867 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -66.25 -42.31 88.74 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 121.583 -0.698 . . . . 25.0 110.18 -173.189 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -68.6 -28.57 67.05 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 121.085 -1.01 . . . . 25.0 109.167 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.67 -52.09 49.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.478 -0.564 . . . . 25.0 109.478 176.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 mtp -59.94 -31.39 69.81 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 119.054 -0.498 . . . . 25.0 112.31 -177.432 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.09 75.77 Favored 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 178.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.87 77.91 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.144 -0.973 . . . . 25.0 112.426 -175.286 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.84 -42.71 85.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.301 -0.863 . . . . 25.0 108.979 179.336 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.16 -37.83 67.49 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.301 1.0 . . . . 25.0 110.662 177.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.32 -41.72 80.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -174.587 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -7.3 55.87 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.295 -176.02 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -121.34 9.64 10.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.101 -0.999 . . . . 25.0 112.876 177.513 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -62.58 1.55 Allowed 'General case' 0 C--O 1.208 -1.115 0 O-C-N 123.467 0.479 . . . . 25.0 110.768 -177.47 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.09 -34.08 64.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 -179.674 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.13 -36.01 82.01 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 120.939 -1.1 . . . . 25.0 111.887 -171.634 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -83.33 -39.02 21.29 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 120.491 -0.484 . . . . 25.0 111.334 175.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.94 -39.1 80.6 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 177.408 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -63.26 -46.51 86.54 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.514 0.673 . . . . 25.0 111.158 176.011 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -45.49 92.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.887 -1.133 . . . . 25.0 110.696 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.72 -34.77 78.63 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 108.861 -0.792 . . . . 25.0 108.861 -178.737 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.26 78.58 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 176.342 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.68 -43.71 75.53 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.879 0.847 . . . . 25.0 110.345 173.471 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -74.7 -37.99 62.47 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 115.181 1.548 . . . . 25.0 115.181 -174.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -137.66 67.77 51.53 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -176.292 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.89 144.96 89.7 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 115.656 -2.429 . . . . 25.0 110.495 -176.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.76 -21.6 2.49 Favored Glycine 0 C--N 1.301 -1.415 0 N-CA-C 115.605 1.002 . . . . 25.0 115.605 177.661 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -97.16 86.97 4.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 119.218 1.509 . . . . 25.0 110.307 -173.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -48.8 -43.74 38.52 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 112.646 0.61 . . . . 25.0 112.646 179.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.22 -44.6 95.05 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -177.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -67.01 -36.52 82.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 120.844 -1.16 . . . . 25.0 112.438 176.45 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.65 -45.87 88.19 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.5 -179.388 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -64.22 -42.04 96.75 Favored 'General case' 0 C--O 1.208 -1.097 0 C-N-CA 118.233 -1.387 . . . . 25.0 112.951 177.277 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.0 mt -54.26 -42.56 57.52 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 179.023 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 23' ' ' ALA . 23.5 tp -69.75 -43.44 72.25 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.407 -0.361 . . . . 25.0 111.612 178.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.82 -37.66 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-O 118.265 -0.874 . . . . 25.0 110.501 176.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -57.24 -47.17 82.04 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.696 0.68 . . . . 25.0 110.342 173.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.96 -46.29 88.45 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 118.764 0.711 . . . . 25.0 110.866 178.151 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.08 -45.21 95.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.017 -0.992 . . . . 25.0 111.258 -178.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -66.04 -32.32 73.72 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 178.327 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.61 -52.39 31.97 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.531 179.489 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -68.59 -32.01 71.6 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -175.397 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -61.98 -51.91 66.14 Favored 'General case' 0 C--O 1.19 -2.042 0 CA-C-O 118.761 -0.637 . . . . 25.0 109.614 173.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -59.18 -42.79 91.66 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 118.51 0.595 . . . . 25.0 110.793 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.88 -50.51 71.93 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-O 119.179 -0.438 . . . . 25.0 111.375 -178.647 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -65.76 -45.65 81.75 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.334 1.022 . . . . 25.0 109.633 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.26 -50.8 72.31 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.971 -0.456 . . . . 25.0 110.941 -178.392 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -42.26 95.47 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.172 -0.611 . . . . 25.0 109.913 -174.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -64.11 -43.74 94.39 Favored 'General case' 0 N--CA 1.436 -1.163 0 O-C-N 121.667 -0.646 . . . . 25.0 111.235 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.5 -44.03 79.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -176.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 tp -56.4 -38.44 71.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.167 0.508 . . . . 25.0 111.271 174.523 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.81 -42.0 92.5 Favored 'General case' 0 CA--C 1.485 -1.522 0 N-CA-C 110.061 -0.348 . . . . 25.0 110.061 -179.889 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -73.28 -29.95 63.09 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 121.999 -0.438 . . . . 25.0 111.404 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.6 t -71.61 -47.29 58.53 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 C-N-CA 119.442 -0.903 . . . . 25.0 110.286 176.024 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -66.8 -32.34 73.57 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.444 -0.902 . . . . 25.0 109.942 179.321 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -65.47 -38.51 90.0 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.087 176.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.64 96.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.935 0.874 . . . . 25.0 111.905 -178.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -67.46 -42.38 83.13 Favored 'General case' 0 C--O 1.21 -1.02 0 O-C-N 121.497 -0.752 . . . . 25.0 110.171 178.174 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -37.12 86.45 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 176.257 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 HE22 ' HB2' ' A' ' 69' ' ' GLN . 12.3 mm-40 -64.3 -37.61 88.1 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 121.074 -1.016 . . . . 25.0 111.567 176.649 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.54 -26.65 68.8 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.669 -1.15 . . . . 25.0 111.022 179.179 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.76 30.09 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.676 177.597 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.51 -54.3 5.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.214 0.461 . . . . 25.0 111.534 179.392 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 47.39 31.31 1.83 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.942 1.297 . . . . 25.0 114.18 -173.81 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -158.45 23.92 0.24 Allowed 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.349 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -139.0 170.33 16.17 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 176.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' HB2' HE22 ' A' ' 62' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 125.721 2.677 . . . . 25.0 114.092 178.415 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.638 0 CA-C-O 122.303 0.946 . . . . 25.0 114.969 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.2 74.86 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.767 -1.431 . . . . 25.0 114.181 -175.504 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 74.6 mtm 42.76 62.12 1.86 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.836 1.421 . . . . 25.0 114.836 179.236 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 m -112.93 153.86 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 124.235 1.014 . . . . 25.0 108.79 179.404 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -117.56 18.68 14.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.07 143.25 31.78 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.224 0.535 . . . . 25.0 109.575 175.332 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.66 43.27 3.16 Favored 'General case' 0 C--O 1.26 1.634 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 -177.202 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.7 m -66.75 146.34 54.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.591 -179.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.71 104.0 13.62 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.655 0.782 . . . . 25.0 109.159 -177.846 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -141.03 111.05 6.59 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.69 26.04 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 123.799 1.762 . . . . 25.0 109.499 179.733 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.86 168.98 25.37 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 112.804 -1.998 . . . . 25.0 107.391 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 69.9 mtm -106.68 7.27 30.43 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 176.603 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.73 177.93 39.55 Favored Glycine 0 N--CA 1.472 1.052 0 CA-C-O 118.496 -1.169 . . . . 25.0 110.825 -178.19 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 39.0 t0 48.26 48.71 18.56 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 118.101 0.95 . . . . 25.0 111.459 -175.149 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 41.1 p -79.51 26.11 0.31 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.707 -0.679 . . . . 25.0 111.66 -178.27 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.59 132.0 33.22 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 N-CA-C 103.556 -2.757 . . . . 25.0 103.556 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.41 44.83 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 122.889 1.328 . . . . 25.0 107.941 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -115.55 -92.33 0.0 OUTLIER Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 113.09 -1.868 . . . . 25.0 110.142 172.421 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -84.86 91.84 0.74 Allowed 'Trans proline' 0 C--N 1.374 1.92 1 C-N-CA 111.597 -5.135 . . . . 25.0 111.99 174.311 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.11 153.3 52.92 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 179.355 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -71.02 151.6 62.0 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 116.273 -2.018 . . . . 25.0 109.539 170.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 2.0 pp -158.01 159.84 36.82 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.247 0.546 . . . . 25.0 110.619 -178.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 73.56 -96.78 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.292 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 -170.386 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -71.16 130.25 17.34 Favored 'Trans proline' 0 C--N 1.369 1.643 1 C-N-CA 108.037 -7.509 . . . . 25.0 111.281 167.944 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.2 168.8 18.9 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.821 0.701 . . . . 25.0 111.389 -177.555 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 7.0 p -74.77 148.63 40.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.722 -1.236 . . . . 25.0 111.546 -175.452 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -142.79 152.66 59.8 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 176.809 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -67.56 149.96 79.83 Favored 'Trans proline' 0 C--O 1.21 -0.902 0 C-N-CA 117.982 -0.878 . . . . 25.0 111.948 176.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 75.1 p -68.47 -24.76 64.73 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.635 -0.426 . . . . 25.0 111.064 -177.072 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 8.0 m 52.14 -162.29 0.09 Allowed 'General case' 0 CA--C 1.583 2.227 0 N-CA-C 115.178 1.547 . . . . 25.0 115.178 174.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 177.86 -167.92 39.05 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-O 117.446 -1.752 . . . . 25.0 109.39 -170.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -65.67 130.1 24.0 Favored 'Trans proline' 0 CA--C 1.564 2.002 0 CA-C-N 120.117 1.959 . . . . 25.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -88.85 4.0 5.54 Favored 'Trans proline' 0 C--O 1.206 -1.11 0 N-CA-C 116.154 1.559 . . . . 25.0 116.154 -170.005 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 78.58 85.71 0.52 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 122.71 1.172 . . . . 25.0 111.286 -174.379 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 43.8 p30 -68.35 -20.28 64.71 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.407 -1.054 . . . . 25.0 112.137 179.805 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 56.78 -154.85 0.33 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 124.991 1.316 . . . . 25.0 112.427 176.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -179.48 173.22 45.13 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.544 -1.022 . . . . 25.0 110.544 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -166.64 41.67 0.26 Allowed Glycine 0 C--O 1.207 -1.552 0 C-N-CA 119.147 -1.501 . . . . 25.0 113.898 -176.817 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 6.2 t -130.04 63.18 1.55 Allowed 'General case' 0 N--CA 1.483 1.193 0 O-C-N 121.11 -1.229 . . . . 25.0 108.469 -173.172 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 tp -116.37 49.5 1.13 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 115.41 -0.813 . . . . 25.0 109.678 -176.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.56 151.99 47.17 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 122.274 1.035 . . . . 25.0 111.166 -176.483 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 20.3 p -156.0 145.36 20.81 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 177.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 44.7 t -137.54 130.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.44 126.33 29.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 105.615 -1.994 . . . . 25.0 105.615 178.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 5.4 p -135.16 72.44 1.45 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.656 1.217 . . . . 25.0 111.522 178.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -126.4 32.18 5.24 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 114.165 -1.38 . . . . 25.0 110.538 -178.668 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -98.91 -10.74 48.61 Favored Glycine 0 C--O 1.194 -2.347 0 C-N-CA 119.055 -1.545 . . . . 25.0 114.41 -176.714 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 57.7 t -126.65 128.92 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 O-C-N 120.589 -1.536 . . . . 25.0 109.597 -174.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.27 56.82 0.05 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 C-N-CA 120.39 -0.91 . . . . 25.0 112.936 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -64.48 -46.74 81.73 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.369 1.084 . . . . 25.0 111.181 -171.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -131.23 -76.99 0.52 Allowed 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.723 0.639 . . . . 25.0 109.82 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 44.1 m -135.45 83.73 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -174.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 4.5 p -81.34 0.03 4.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.769 0 C-N-CA 124.161 0.984 . . . . 25.0 109.071 178.562 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 37.3 pt -119.98 174.41 5.1 Favored 'Isoleucine or valine' 0 C--O 1.257 1.456 0 CA-C-N 114.865 -1.061 . . . . 25.0 108.978 174.554 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -92.03 104.3 10.33 Favored Pre-proline 0 N--CA 1.444 -0.726 0 N-CA-C 104.826 -2.286 . . . . 25.0 104.826 165.316 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.06 -19.51 26.38 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 114.657 -3.095 . . . . 25.0 115.701 -174.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.71 -49.02 79.35 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -31.03 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -179.664 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.11 90.85 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.346 0.593 . . . . 25.0 109.524 -178.784 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -61.08 -37.19 81.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.945 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -71.59 -34.23 69.73 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.837 -1.165 . . . . 25.0 109.782 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.49 79.27 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.239 -0.984 . . . . 25.0 110.97 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 10.4 p -67.21 -29.47 69.13 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 120.376 -0.53 . . . . 25.0 111.488 -175.132 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 178.259 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -65.41 -37.7 87.73 Favored 'General case' 0 N--CA 1.426 -1.671 0 CA-C-N 115.167 -0.924 . . . . 25.0 112.853 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.66 -40.96 90.96 Favored 'Isoleucine or valine' 0 C--O 1.265 1.888 0 C-N-CA 120.284 -0.567 . . . . 25.0 111.007 -179.723 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -42.34 98.51 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 120.869 -1.144 . . . . 25.0 112.016 175.188 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.36 -35.92 81.58 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.233 0.539 . . . . 25.0 112.239 179.063 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -56.17 24.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 118.204 -0.903 . . . . 25.0 111.022 178.432 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.43 -25.69 33.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 CA-C-N 119.215 0.916 . . . . 25.0 111.223 -174.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -62.29 -33.79 75.33 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 121.58 0.705 . . . . 25.0 110.305 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 -27.49 44.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.695 0.998 . . . . 25.0 113.695 -174.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.03 -28.28 69.38 Favored 'General case' 0 CA--C 1.499 -1.004 0 C-N-CA 119.709 -0.797 . . . . 25.0 109.139 175.575 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -70.49 -28.51 65.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 155.65 141.39 3.2 Favored Glycine 0 C--O 1.217 -0.916 0 CA-C-O 122.87 1.261 . . . . 25.0 114.319 174.584 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . -78.12 0.29 74.01 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 119.333 -1.413 . . . . 25.0 111.177 177.587 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.71 -0.68 7.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-O 122.195 0.997 . . . . 25.0 110.17 176.783 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -114.42 47.31 1.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.199 1.476 . . . . 25.0 109.152 -178.664 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.2 -1.546 0 C-N-CA 124.921 1.288 . . . . 25.0 112.126 176.146 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 116.223 1.934 . . . . 25.0 116.223 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -83.3 10.94 7.4 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 119.329 -2.107 . . . . 25.0 111.531 -177.594 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -60.89 -17.39 50.41 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.277 0.631 . . . . 25.0 111.299 176.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 82.8 tttt -53.9 -31.22 49.24 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 177.243 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -61.38 -46.01 91.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.364 -1.46 . . . . 25.0 113.249 -178.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -71.99 -27.2 62.59 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 119.095 -1.042 . . . . 25.0 111.788 179.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -66.73 -52.19 47.95 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.077 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 175.142 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' HE2' ' A' ' 4' ' ' LYS . 56.3 mtp -62.41 -38.9 91.45 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.833 -0.542 . . . . 25.0 110.362 -175.119 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.61 85.76 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 120.081 -0.647 . . . . 25.0 111.269 174.017 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.41 78.63 Favored 'General case' 0 C--O 1.254 1.293 0 O-C-N 121.033 -1.042 . . . . 25.0 111.745 179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD23 HD13 ' B' ' 155' ' ' ILE . 87.5 mt -68.36 -37.19 80.22 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.775 -178.287 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -69.23 -36.21 76.95 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -176.444 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.0 -52.19 63.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 119.193 -0.432 . . . . 25.0 110.173 -176.744 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -5.7 47.57 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.261 1.949 . . . . 25.0 116.261 -176.821 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.0 p -124.25 10.63 8.69 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.221 0.464 . . . . 25.0 110.119 176.551 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.19 -49.53 63.68 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 121.96 0.886 . . . . 25.0 110.904 -176.722 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.64 -30.51 16.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 C-N-CA 119.963 -0.695 . . . . 25.0 111.264 -177.258 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -68.91 -36.88 78.54 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.652 -1.905 . . . . 25.0 110.867 -179.302 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -80.31 -30.79 38.22 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 118.995 -1.082 . . . . 25.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -64.91 -40.18 94.67 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 122.335 1.064 . . . . 25.0 110.86 175.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -67.29 -43.11 82.54 Favored 'General case' 0 C--O 1.249 1.069 0 O-C-N 120.264 -1.522 . . . . 25.0 109.24 -178.335 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -66.98 -42.89 84.31 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.788 178.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.771 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.93 -38.49 88.62 Favored 'General case' 0 C--O 1.197 -1.705 0 C-N-CA 119.205 -0.998 . . . . 25.0 110.457 177.813 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.91 82.73 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -68.52 -29.37 67.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.235 -0.916 . . . . 25.0 110.168 -178.609 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -83.17 -47.75 11.26 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 115.139 -0.937 . . . . 25.0 113.05 -179.67 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.7 67.85 60.2 Favored Pre-proline 0 C--O 1.255 1.351 0 C-N-CA 122.9 0.48 . . . . 25.0 110.026 -177.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.38 142.34 49.33 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 113.426 -3.916 . . . . 25.0 112.842 -176.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -14.93 40.17 Favored Glycine 0 C--O 1.209 -1.411 0 CA-C-O 116.286 -2.397 . . . . 25.0 113.404 -179.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -107.78 82.9 1.72 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.053 1.926 . . . . 25.0 110.89 -173.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -50.45 -48.33 56.49 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.162 0.585 . . . . 25.0 111.866 -178.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.63 -43.76 95.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 119.336 0.971 . . . . 25.0 113.472 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -64.68 -27.07 68.67 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.5 0.667 . . . . 25.0 111.414 175.562 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -71.43 -43.38 66.84 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.186 175.64 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -62.63 -36.91 84.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 118.556 0.616 . . . . 25.0 109.749 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.59 -41.52 90.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 119.017 -0.516 . . . . 25.0 110.559 178.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.771 HD23 ' HA ' ' A' ' 23' ' ' ALA . 49.1 tp -70.8 -36.2 72.88 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 179.728 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mt -63.25 -42.96 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.35 177.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -65.07 -37.29 87.07 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 121.046 -1.034 . . . . 25.0 111.826 -179.029 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -62.47 -45.08 94.69 Favored 'General case' 0 CA--C 1.49 -1.359 0 CA-C-O 121.566 0.698 . . . . 25.0 109.362 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.31 -41.67 84.95 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.36 -0.836 . . . . 25.0 111.906 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -58.79 -39.84 82.27 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 114.513 1.301 . . . . 25.0 114.513 175.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.45 -52.28 34.32 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.871 -1.143 . . . . 25.0 109.901 178.673 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.54 -39.32 79.87 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 -179.479 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -59.82 -46.52 89.0 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 121.707 -0.621 . . . . 25.0 110.606 176.964 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -45.52 91.22 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.04 0.836 . . . . 25.0 109.796 179.336 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -63.65 -49.7 72.17 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 118.085 0.402 . . . . 25.0 110.847 -177.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -65.14 -37.57 87.82 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 177.915 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -64.05 -51.59 63.38 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 109.296 -0.631 . . . . 25.0 109.296 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -38.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 -172.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -58.77 -48.54 80.9 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-O 119.328 -0.368 . . . . 25.0 110.706 177.137 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -68.45 -42.71 78.42 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 119.518 -0.873 . . . . 25.0 110.832 179.356 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.87 -40.23 75.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 -178.384 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.92 -41.61 78.46 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-O 123.294 1.521 . . . . 25.0 111.376 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.43 -33.5 71.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 114.751 -1.113 . . . . 25.0 112.321 177.515 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.9 t -72.69 -47.15 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 121.112 -0.992 . . . . 25.0 111.814 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -64.74 -31.78 73.17 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.518 -0.739 . . . . 25.0 110.635 177.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -69.57 -42.18 74.86 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 117.82 -1.086 . . . . 25.0 111.195 175.011 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.06 96.14 Favored 'General case' 0 C--O 1.206 -1.211 0 C-N-CA 119.567 -0.853 . . . . 25.0 109.25 177.222 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -64.84 -40.18 94.76 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-O 122.068 0.937 . . . . 25.0 111.254 179.331 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -67.25 -39.68 86.16 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 121.544 -0.722 . . . . 25.0 111.034 177.07 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -67.71 -32.89 73.84 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 120.793 -1.192 . . . . 25.0 108.158 -179.707 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.4 -29.94 68.74 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.021 -179.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.89 -34.31 64.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.004 0.907 . . . . 25.0 111.844 176.769 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.05 -60.78 2.11 Favored 'General case' 0 C--O 1.198 -1.647 0 CA-C-N 115.284 -0.871 . . . . 25.0 112.593 -176.33 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 43.78 38.72 2.17 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.247 0.619 . . . . 25.0 112.481 -170.561 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -152.64 9.41 0.46 Allowed 'General case' 0 C--O 1.214 -0.807 0 O-C-N 124.397 1.061 . . . . 25.0 112.198 -176.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.31 120.58 5.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.129 -0.487 . . . . 25.0 111.145 -177.07 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.191 -1.99 0 CA-C-O 123.064 1.412 . . . . 25.0 111.096 177.437 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 3.947 0 CA-C-O 123.475 1.597 . . . . 25.0 111.784 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.55 38.49 25.86 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 126.142 1.777 . . . . 25.0 108.992 -179.771 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.16 139.95 47.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 104.909 -2.256 . . . . 25.0 104.909 -178.161 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.28 155.02 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.82 0 N-CA-C 106.805 -1.554 . . . . 25.0 106.805 178.044 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -130.23 144.46 51.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 -175.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 32.89 1.18 Allowed 'General case' 0 C--O 1.251 1.173 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 67.56 164.23 0.21 Allowed 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 114.181 -1.372 . . . . 25.0 110.614 -177.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 44.03 2.06 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 121.017 -1.052 . . . . 25.0 110.278 -177.339 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 38.4 mt 61.13 -171.32 0.15 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.343 -1.298 . . . . 25.0 113.257 176.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -133.01 40.37 3.23 Favored 'General case' 0 C--O 1.22 -0.497 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.55 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.5 96.19 3.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 175.594 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.94 -25.78 40.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.726 -0.789 . . . . 25.0 110.584 -176.478 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 113' ' ' MET . . . . . . . . . . . . . 49.4 mtt 60.48 -179.28 0.1 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.223 1.409 . . . . 25.0 113.734 178.334 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.21 -58.91 4.2 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-O 117.849 -1.529 . . . . 25.0 114.143 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -96.55 63.28 2.07 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.45 1.625 . . . . 25.0 111.852 -179.533 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 38.5 p -72.36 3.0 5.17 Favored 'General case' 0 CA--C 1.565 1.542 0 O-C-N 120.805 -1.185 . . . . 25.0 111.366 174.043 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 96.9 t -80.06 130.27 36.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 177.151 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.21 93.78 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 O-C-N 121.764 -0.585 . . . . 25.0 112.146 -177.307 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . 0.251 37.3 mt-10 91.02 -37.26 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.917 0 N-CA-C 120.281 3.437 . . . . 25.0 120.281 177.351 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.53 2.74 4.85 Favored 'Trans proline' 0 C--O 1.253 1.262 0 C-N-CA 113.553 -3.831 . . . . 25.0 116.947 -175.67 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 121' ' ' ALA . . . . . . . . . . . . . . . -152.95 150.93 25.34 Favored Pre-proline 0 C--O 1.26 1.613 0 CA-C-N 119.522 1.055 . . . . 25.0 109.222 -179.581 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 122' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.26 157.84 45.49 Favored 'Trans proline' 0 CA--C 1.509 -0.772 0 C-N-CA 116.703 -1.731 . . . . 25.0 113.036 177.33 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 162.87 35.47 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 115.848 1.796 . . . . 25.0 115.848 179.719 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 124' ' ' LYS . . . . . . . . . . . . 0.281 0.3 OUTLIER 95.05 -32.24 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.604 0 N-CA-C 120.074 3.361 . . . . 25.0 120.074 172.202 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.89 132.75 18.87 Favored 'Trans proline' 0 C--N 1.364 1.373 1 C-N-CA 112.199 -4.734 . . . . 25.0 112.46 177.747 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.25 27.34 0.25 Allowed 'General case' 0 C--O 1.207 -1.181 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.935 -179.008 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 86.1 p -97.78 157.72 15.91 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 -179.605 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -124.17 150.18 62.75 Favored Pre-proline 0 C--O 1.221 -0.403 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.391 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.82 156.21 57.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 116.184 1.571 . . . . 25.0 116.184 175.395 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.2 p -120.55 157.41 29.52 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.136 0.975 . . . . 25.0 108.375 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 45.8 m -112.02 16.09 20.39 Favored 'General case' 0 C--O 1.206 -1.221 0 N-CA-C 109.879 -0.415 . . . . 25.0 109.879 -175.782 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.22 178.04 38.83 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 111.513 -0.635 . . . . 25.0 111.513 178.789 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.75 159.1 18.89 Favored 'Trans proline' 0 CA--C 1.502 -1.105 0 C-N-CA 123.531 2.821 . . . . 25.0 111.76 -174.076 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 134' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -84.91 174.33 7.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 N-CA-C 109.847 -0.867 . . . . 25.0 109.847 172.802 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 177.15 152.21 9.72 Favored Glycine 0 C--O 1.219 -0.822 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 177.279 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.91 30.41 1.17 Allowed 'General case' 0 C--O 1.181 -2.5 0 O-C-N 124.246 0.615 . . . . 25.0 111.436 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 137' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -73.7 147.58 43.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.47 -0.769 . . . . 25.0 111.097 -173.544 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 138' ' ' GLY . . . . . . . . . . . . . . . -167.27 176.48 42.13 Favored Glycine 0 C--O 1.217 -0.946 0 CA-C-O 118.141 -1.366 . . . . 25.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.46 57.8 0.24 Allowed Glycine 0 C--N 1.342 0.864 0 CA-C-O 119.179 -0.79 . . . . 25.0 113.362 -179.824 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 140' ' ' SER . . . . . . . . . . . . . 3.3 p -146.04 102.07 3.59 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 119.595 1.698 . . . . 25.0 109.898 -174.015 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 5.9 tp -144.05 12.39 1.61 Allowed 'General case' 0 C--O 1.207 -1.179 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 -178.784 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 37.9 mt 64.74 159.25 0.1 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.709 2.004 . . . . 25.0 115.923 178.086 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 27.9 t -152.24 147.68 26.67 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 102.981 -2.97 . . . . 25.0 102.981 -178.062 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 65.6 t -129.41 129.76 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 123.982 0.802 . . . . 25.0 109.975 179.299 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 145' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.93 131.42 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 178.147 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 13.5 t -122.87 -9.71 8.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.387 1.055 . . . . 25.0 111.884 173.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 45.6 51.47 9.97 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.531 1.132 . . . . 25.0 113.479 177.642 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 148' ' ' GLY . . . . . . . . . . . . . . . -94.0 -8.69 60.18 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 119.997 -1.097 . . . . 25.0 111.483 176.3 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 149' ' ' VAL . . . . . . . . . . . . . 6.1 p -72.64 148.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 105.505 -2.035 . . . . 25.0 105.505 -179.751 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.2 -72.1 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.248 -1.141 . . . . 25.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -115.2 165.18 13.21 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 119.097 -1.041 . . . . 25.0 109.827 178.564 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 152' ' ' LEU . . . . . . . . . . . . . 51.5 tp -128.43 -47.02 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.383 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 15.7 m 41.84 46.65 3.46 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 117.398 2.37 . . . . 25.0 117.398 170.914 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 16.8 m -83.05 26.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.419 0.688 . . . . 25.0 109.67 173.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 11' ' ' LEU . 17.3 pt -122.8 168.16 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 N-CA-C 105.636 -1.987 . . . . 25.0 105.636 -175.184 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 156' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.78 112.15 20.53 Favored Pre-proline 0 C--O 1.255 1.344 0 N-CA-C 104.611 -2.366 . . . . 25.0 104.611 167.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -76.97 -22.96 11.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 1 C-N-CA 111.192 -5.405 . . . . 25.0 113.691 -173.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -63.12 -36.73 84.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.524 0.935 . . . . 25.0 113.524 -176.725 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.12 -32.67 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.7 0.762 . . . . 25.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.09 66.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.432 -0.792 . . . . 25.0 110.513 -179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -66.28 -46.04 78.39 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-O 121.33 0.586 . . . . 25.0 110.138 178.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -57.1 -45.69 83.2 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.356 1.074 . . . . 25.0 109.84 177.006 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.93 94.5 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 114.906 -1.043 . . . . 25.0 112.622 -176.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 164' ' ' CYS . . . . . . . . . . . . . 13.5 p -69.8 -29.43 66.74 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.782 -1.167 . . . . 25.0 110.62 -179.53 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 165' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.27 -43.91 96.61 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.16 0.913 . . . . 25.0 109.499 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 166' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -67.13 -35.04 78.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.818 -0.551 . . . . 25.0 111.658 178.784 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 167' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.25 -41.04 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 120.471 -0.491 . . . . 25.0 111.253 179.689 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -32.5 66.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.045 0.45 . . . . 25.0 110.557 -174.863 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.78 -41.36 75.21 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.528 -1.269 . . . . 25.0 113.473 172.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -72.32 -43.35 64.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.639 0.587 . . . . 25.0 112.066 -176.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 171' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.91 -33.6 50.23 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 O-C-N 121.174 -0.954 . . . . 25.0 110.07 177.117 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -62.89 -33.98 76.45 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.691 -179.246 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 173' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.87 -25.81 61.22 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 175.649 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.99 -13.07 61.88 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.545 -0.722 . . . . 25.0 111.256 179.643 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 175' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -81.74 -5.25 57.97 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.062 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 176' ' ' GLY . . . . . . . . . . . . . . . 119.06 -23.52 8.63 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.691 -0.686 . . . . 25.0 112.084 177.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 177' ' ' GLY . . . . . . . . . . . . . . . 73.25 32.53 60.09 Favored Glycine 0 CA--C 1.494 -1.232 0 O-C-N 121.523 -0.986 . . . . 25.0 111.86 179.118 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 178' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.66 41.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 114.329 1.233 . . . . 25.0 114.329 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . 53.35 51.13 16.01 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 124.538 2.113 . . . . 25.0 112.173 179.369 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 180' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 127.023 2.129 . . . . 25.0 113.001 178.056 . . . . . . . . 0 0 . 1 stop_ save_